data_1jex_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 1jex _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.441 HG12 ' N ' ' A' ' 5' ' ' LYS . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.238 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.528 ' O ' ' CE2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -92.69 135.04 34.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.256 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -89.73 94.63 9.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.142 . . . . 0.0 111.008 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.528 ' CE2' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -105.34 129.78 53.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.982 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.484 ' CG2' ' HB2' ' A' ' 80' ' ' HIS . 43.4 p -79.42 159.09 27.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.462 1.101 . . . . 0.0 110.393 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.497 ' CD1' HD21 ' A' ' 79' ' ' LEU . 2.4 mp -39.79 -33.85 0.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -46.12 -24.72 0.48 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.442 1.089 . . . . 0.0 110.308 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 14' ' ' LYS . 18.7 mm-40 -98.88 -57.52 2.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.345 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.8 mp -46.55 -39.73 4.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.146 . . . . 0.0 109.337 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.437 ' NE2' ' O ' ' A' ' 51' ' ' GLY . 57.2 mm-40 -55.09 -34.48 63.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 110.325 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 11' ' ' GLU . 0.6 OUTLIER -74.71 -7.55 53.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -179.902 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.593 ' CD2' ' CH2' ' A' ' 22' ' ' TRP . 90.3 m-70 -107.82 44.85 1.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.595 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.5 tttm -109.92 53.07 0.7 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.576 1.173 . . . . 0.0 109.293 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -149.88 169.71 20.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.582 1.176 . . . . 0.0 109.245 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.45 -53.86 53.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.933 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.22 -41.13 36.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 109.266 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.72 110.64 6.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.007 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.469 HG23 ' CD1' ' A' ' 36' ' ' LEU . 0.8 OUTLIER -141.05 116.82 10.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.43 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.593 ' CH2' ' CD2' ' A' ' 15' ' ' HIS . 14.0 m0 -117.53 -177.84 3.33 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.536 1.148 . . . . 0.0 108.041 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.472 ' CG2' HD22 ' A' ' 32' ' ' LEU . 2.9 m -160.18 102.83 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.265 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.527 ' CG2' ' O ' ' A' ' 52' ' ' GLY . 5.0 tt -62.01 116.27 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.231 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.57 HD12 ' CE1' ' A' ' 30' ' ' TYR . 4.3 pp -137.69 122.75 19.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.255 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.437 ' O ' ' HB3' ' A' ' 27' ' ' HIS . 67.9 m-70 63.67 36.7 10.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.575 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.516 ' CG ' ' HG3' ' A' ' 84' ' ' ARG . 3.4 t60 68.58 5.01 4.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.679 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.42 ' NZ ' ' OE1' ' A' ' 78' ' ' GLU . 3.6 mptp? -118.42 114.54 23.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.551 HG13 ' CD1' ' A' ' 76' ' ' ILE . 7.3 p -85.52 136.9 21.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.612 ' CZ ' HD13 ' A' ' 75' ' ' ILE . 4.0 m-85 -117.79 139.18 51.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 111.018 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.465 ' CB ' HG23 ' A' ' 76' ' ' ILE . 9.0 t0 -100.31 83.31 2.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.425 1.078 . . . . 0.0 109.255 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.472 HD22 ' CG2' ' A' ' 23' ' ' VAL . 0.1 OUTLIER -91.87 22.44 4.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.403 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 0.5 OUTLIER -67.17 -19.69 65.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.589 1.181 . . . . 0.0 110.381 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.01 -54.43 4.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.614 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -80.7 7.79 9.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.945 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.469 ' CD1' HG23 ' A' ' 21' ' ' THR . 0.2 OUTLIER -53.98 -41.89 68.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.253 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.36 -21.75 45.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.79 -2.43 56.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.423 1.077 . . . . 0.0 110.312 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.597 ' HB2' ' CZ ' ' A' ' 35' ' ' PHE . 23.3 t-80 -91.14 129.61 43.05 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.615 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.592 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.4 Cg_endo -74.9 -1.82 11.7 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.464 1.771 . . . . 0.0 110.979 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.578 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -70.07 -79.09 0.35 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.483 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -173.88 -169.57 36.27 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 12.5 tt0 -122.28 -13.97 7.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 0.787 . . . . 0.0 110.291 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -116.95 -2.64 11.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.632 1.208 . . . . 0.0 110.279 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.483 ' CG1' ' HA3' ' A' ' 42' ' ' GLY . 0.2 OUTLIER -100.22 -28.97 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.422 HD22 ' ND1' ' A' ' 39' ' ' HIS . 4.6 mt -74.81 -37.99 62.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 109.305 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.414 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 3.8 ptm180 -84.17 -25.75 29.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 110.293 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.94 -23.71 2.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.298 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 74.4 mm-40 -116.54 23.26 12.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 110.281 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.428 ' HA ' ' O ' ' A' ' 22' ' ' TRP . . . -85.51 58.08 4.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.437 ' O ' ' NE2' ' A' ' 13' ' ' GLN . . . -170.41 -36.77 0.03 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.526 1.141 . . . . 0.0 111.068 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.527 ' O ' ' CG2' ' A' ' 24' ' ' ILE . . . -110.75 -135.19 6.84 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.471 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -109.84 120.24 41.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.568 0.805 . . . . 0.0 109.319 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.41 ' CB ' ' HB ' ' A' ' 23' ' ' VAL . . . -93.82 -16.36 24.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.362 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.458 ' HA ' ' HB3' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -49.73 -32.09 12.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.389 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.89 -45.31 74.82 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.546 1.154 . . . . 0.0 110.279 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -80.4 -34.02 36.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 109.274 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.572 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 0.9 OUTLIER -66.03 -39.78 90.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.963 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.404 ' CD ' ' C ' ' A' ' 59' ' ' GLU . 2.2 pp20? -79.73 -21.9 43.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.418 1.074 . . . . 0.0 110.296 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -61.91 -57.24 12.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.413 1.071 . . . . 0.0 109.317 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.4 HG12 ' CE1' ' A' ' 63' ' ' HIS . 0.7 OUTLIER -59.89 -18.21 14.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.571 1.169 . . . . 0.0 109.298 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 66.63 78.59 0.24 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.46 1.1 . . . . 0.0 110.981 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.461 ' ND1' ' O ' ' A' ' 58' ' ' PHE . 47.9 m80 -73.05 139.94 46.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 0.75 . . . . 0.0 109.542 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.8 158.45 0.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.019 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 40.0 p -73.43 -13.25 61.04 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.132 . . . . 0.0 110.44 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.421 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 6.2 m-20 -95.35 13.13 26.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.258 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -85.36 -25.88 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.409 ' CG ' ' N ' ' A' ' 69' ' ' GLU . 9.4 ptm180 -59.29 -41.99 90.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 66' ' ' ASP . 5.1 pt-20 -75.3 -21.23 58.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.426 1.079 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.32 -73.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.409 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 30.7 t -81.28 121.43 26.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.973 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.33 -58.13 0.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.8 m -72.98 -26.12 61.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 110.371 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.42 ' O ' ' C ' ' A' ' 75' ' ' ILE . 20.8 m-85 -71.75 -36.2 70.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 111.026 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.612 HD13 ' CZ ' ' A' ' 30' ' ' TYR . 0.5 OUTLIER -37.97 150.78 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.409 1.068 . . . . 0.0 109.3 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.559 HD11 ' CE3' ' A' ' 22' ' ' TRP . 0.1 OUTLIER -109.57 -45.45 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 154.88 -112.38 0.52 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.456 1.097 . . . . 0.0 111.023 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.42 ' OE1' ' NZ ' ' A' ' 28' ' ' LYS . 4.6 pt-20 -167.03 119.46 0.95 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 0.742 . . . . 0.0 110.293 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.507 HD23 ' N ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -52.64 160.14 0.94 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.507 ' N ' HD23 ' A' ' 79' ' ' LEU . 2.0 t-80 -37.82 139.38 0.6 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.553 1.158 . . . . 0.0 109.658 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -21.51 15.85 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.416 1.745 . . . . 0.0 111.037 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -78.12 -37.63 45.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 109.331 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.69 -27.63 40.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.516 ' HG3' ' CG ' ' A' ' 27' ' ' HIS . 0.0 OUTLIER -62.36 -35.31 78.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 110.223 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.0 m -83.99 -5.5 59.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 109.976 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.05 -27.94 22.87 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.527 1.142 . . . . 0.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.408 ' O ' ' CG2' ' A' ' 87' ' ' ILE . 7.6 mm -71.65 -5.6 6.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.429 1.081 . . . . 0.0 109.204 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.411 1.07 . . . . 0.0 109.304 -179.998 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.1 t . . . . . 0 N--CA 1.452 -0.37 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.567 ' HB3' ' CE2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -88.27 134.91 33.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -90.19 91.48 8.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 110.984 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.573 ' CE1' HD12 ' A' ' 76' ' ' ILE . 0.1 OUTLIER -101.95 129.67 48.28 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.482 1.114 . . . . 0.0 110.993 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.501 ' CG2' ' HB2' ' A' ' 80' ' ' HIS . 42.4 p -78.89 161.44 26.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.462 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.466 ' CD1' HD23 ' A' ' 79' ' ' LEU . 3.8 mp -39.89 -30.34 0.08 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.448 ' N ' ' C ' ' A' ' 8' ' ' THR . 1.4 tt0 -47.52 -24.11 0.78 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.161 . . . . 0.0 110.311 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.498 ' O ' ' CD2' ' A' ' 15' ' ' HIS . 19.4 mm-40 -98.85 -56.95 2.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.212 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.8 mp -52.99 -32.21 18.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.41 1.069 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -59.55 -45.75 90.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 110.251 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.63 -4.55 34.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.787 ' CD2' ' CH2' ' A' ' 22' ' ' TRP . 95.0 m-70 -104.84 43.5 1.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.649 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.3 ttmt -109.83 54.49 0.66 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 18' ' ' SER . 0.3 OUTLIER -146.44 146.74 30.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 17' ' ' ASP . 18.5 p -38.22 -42.66 0.71 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 110.003 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.63 -70.78 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.407 ' O ' ' O ' ' A' ' 15' ' ' HIS . 0.2 OUTLIER -123.06 97.78 5.59 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.102 . . . . 0.0 110.001 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.466 ' CG2' ' HB2' ' A' ' 50' ' ' ALA . 3.2 m -122.0 122.34 39.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.41 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.787 ' CH2' ' CD2' ' A' ' 15' ' ' HIS . 1.6 m0 -122.8 -175.98 3.29 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.426 ' CG2' HD22 ' A' ' 32' ' ' LEU . 1.8 m -159.94 109.14 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.358 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.48 ' HA ' ' HA ' ' A' ' 29' ' ' VAL . 0.2 OUTLIER -64.94 120.44 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.335 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.584 HD12 ' CE1' ' A' ' 30' ' ' TYR . 4.3 pp -140.86 125.51 17.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 4.5 t60 59.15 42.16 19.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.543 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 61.87 19.68 10.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.578 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.1 mtpt -134.74 117.22 15.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.549 HG13 ' CD1' ' A' ' 76' ' ' ILE . 3.4 p -87.89 138.89 18.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.584 ' CE1' HD12 ' A' ' 25' ' ' LEU . 5.1 m-85 -120.54 131.98 54.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.47 ' CB ' HG23 ' A' ' 76' ' ' ILE . 11.6 t70 -92.59 83.44 4.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.242 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.473 ' N ' HD21 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -91.51 24.62 2.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.49 -22.0 62.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.382 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.1 -53.45 4.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.194 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.621 ' CZ ' ' HB2' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -79.69 5.83 12.32 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 110.96 -179.924 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.478 ' HG ' ' CD1' ' A' ' 46' ' ' LEU . 0.2 OUTLIER -52.12 -37.36 53.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.377 179.93 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.38 -23.77 37.44 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.474 1.109 . . . . 0.0 110.319 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.97 -2.94 56.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.307 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.621 ' HB2' ' CZ ' ' A' ' 35' ' ' PHE . 17.9 t-80 -89.31 128.23 52.11 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.565 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.594 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.3 Cg_endo -74.96 -6.19 17.76 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.447 1.762 . . . . 0.0 111.02 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.58 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -67.73 -81.84 0.17 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.455 1.097 . . . . 0.0 110.991 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.503 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.2 -165.23 30.45 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.444 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 18.9 tt0 -120.72 -22.01 6.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 0.756 . . . . 0.0 110.273 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -108.26 6.52 26.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.1 . . . . 0.0 110.33 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.503 ' CG1' ' HA3' ' A' ' 42' ' ' GLY . 0.2 OUTLIER -100.17 -45.16 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.52 HD22 ' CE1' ' A' ' 39' ' ' HIS . 7.8 mt -59.82 -58.58 7.96 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.104 . . . . 0.0 109.372 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.444 ' HA ' ' CG2' ' A' ' 21' ' ' THR . 2.5 ptm180 -63.4 -27.88 69.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.392 1.058 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.57 -25.81 1.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.264 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -120.23 24.28 10.5 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.458 1.099 . . . . 0.0 110.281 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.466 ' HB2' ' CG2' ' A' ' 21' ' ' THR . . . -84.06 60.95 6.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -169.96 -38.02 0.03 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.531 1.144 . . . . 0.0 110.994 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -111.78 -135.68 6.7 Favored Glycine 0 CA--C 1.531 1.055 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -109.78 117.41 33.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 0.768 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -89.7 -16.72 29.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.425 ' O ' ' CG ' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -49.53 -26.66 3.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.379 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.04 -41.78 61.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.421 1.076 . . . . 0.0 110.208 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -84.61 -32.42 23.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.559 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 1.0 OUTLIER -67.72 -39.67 84.29 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.499 1.125 . . . . 0.0 111.008 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.425 ' CG ' ' O ' ' A' ' 55' ' ' THR . 2.3 pp20? -77.68 -22.31 50.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.26 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.28 -57.58 10.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.466 1.104 . . . . 0.0 109.216 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.477 HG12 ' CE1' ' A' ' 63' ' ' HIS . 0.6 OUTLIER -60.03 -18.1 15.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.1 79.07 0.23 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.513 1.133 . . . . 0.0 111.033 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.477 ' CE1' HG12 ' A' ' 61' ' ' VAL . 52.1 m80 -74.79 139.96 43.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 0.764 . . . . 0.0 109.583 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.0 t -48.18 154.07 0.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.005 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.1 t -73.61 -26.62 60.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 110.431 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -99.55 20.66 13.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 109.32 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.419 ' CG1' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -72.11 -44.29 65.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.269 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.419 ' N ' ' CG1' ' A' ' 67' ' ' VAL . 43.8 ttp180 -38.25 -38.98 0.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.423 1.077 . . . . 0.0 110.295 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -42.88 -27.73 0.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 110.217 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.415 ' N ' ' C ' ' A' ' 68' ' ' ARG . 1.6 mm? -68.68 -72.27 0.19 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 91.5 p -65.05 93.65 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.966 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.9 tptt -113.06 -71.58 0.75 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.456 1.097 . . . . 0.0 109.227 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.3 m -82.37 -22.2 35.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.362 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -62.62 -38.75 91.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.584 HD12 ' CG ' ' A' ' 30' ' ' TYR . 1.0 OUTLIER -39.38 139.94 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.573 HD12 ' CE1' ' A' ' 7' ' ' TYR . 0.1 OUTLIER -100.37 -44.75 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.377 179.915 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 155.44 -110.1 0.43 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.512 1.133 . . . . 0.0 110.936 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -170.04 119.68 0.61 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.446 0.733 . . . . 0.0 110.308 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.532 ' HB2' ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -52.42 160.73 0.78 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.253 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.507 ' N ' HD22 ' A' ' 79' ' ' LEU . 2.2 t-80 -34.02 138.53 0.3 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.623 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.475 ' HA ' ' CG ' ' A' ' 84' ' ' ARG . 18.4 Cg_endo -75.0 -22.1 15.16 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.547 1.814 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.408 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 0.4 OUTLIER -80.39 -23.68 40.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.511 ' CB ' ' CD2' ' A' ' 79' ' ' LEU . 0.3 OUTLIER -83.85 -45.19 13.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.516 ' HB3' ' CD1' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -59.55 -35.62 74.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.331 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.48 ' N ' ' CD ' ' A' ' 84' ' ' ARG . 0.4 OUTLIER -76.91 -15.01 59.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.566 1.166 . . . . 0.0 110.013 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.73 -14.89 27.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.169 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.443 ' O ' ' CG2' ' A' ' 87' ' ' ILE . 12.8 mm -74.44 -0.68 2.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.259 -179.932 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.425 HG12 ' N ' ' A' ' 5' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.564 ' HB3' ' CE2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -86.42 138.86 31.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.427 ' CG ' ' HD3' ' A' ' 81' ' ' PRO . 10.2 m-85 -93.8 96.17 9.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 111.027 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.564 ' CE2' ' HB3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -105.85 129.71 53.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 111.037 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 10' ' ' GLU . 44.6 p -80.05 157.33 26.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.356 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 8' ' ' THR . 3.0 mp -37.16 -33.21 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 8' ' ' THR . 1.7 tt0 -44.55 -25.08 0.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.297 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.583 ' O ' ' CD2' ' A' ' 15' ' ' HIS . 24.8 mm-40 -96.87 -56.19 2.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.321 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.5 mt -50.46 -39.6 17.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 0.0 109.229 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.433 ' OE1' ' O ' ' A' ' 51' ' ' GLY . 28.1 mm100 -60.09 -40.96 91.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 110.355 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.67 -3.31 30.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.714 ' CD2' ' CH2' ' A' ' 22' ' ' TRP . 92.4 m-70 -109.91 46.28 1.03 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.597 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -110.07 49.44 0.84 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 18' ' ' SER . 5.2 m-20 -144.95 147.78 33.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 17' ' ' ASP . 22.4 p -37.9 -48.5 1.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.0 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.4 -60.92 2.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.418 ' O ' ' O ' ' A' ' 15' ' ' HIS . 0.3 OUTLIER -126.49 103.11 7.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.032 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.479 ' CG2' ' HB2' ' A' ' 50' ' ' ALA . 22.3 m -127.84 118.97 24.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 110.368 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.714 ' CH2' ' CD2' ' A' ' 15' ' ' HIS . 13.7 m0 -118.72 -179.14 3.71 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.461 ' CG1' ' O ' ' A' ' 22' ' ' TRP . 3.9 m -160.11 103.87 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.551 ' CG2' ' O ' ' A' ' 52' ' ' GLY . 0.9 OUTLIER -64.55 105.96 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.578 HD12 ' CE1' ' A' ' 30' ' ' TYR . 3.9 pp -128.02 124.96 38.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 67.48 34.8 4.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.574 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.462 ' O ' ' NH2' ' A' ' 84' ' ' ARG . 10.7 m-70 70.02 6.5 5.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.579 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.426 ' HG3' ' NH2' ' A' ' 84' ' ' ARG . 13.3 mttt -121.6 129.01 52.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.555 HG13 ' CD1' ' A' ' 76' ' ' ILE . 8.9 p -94.92 129.44 45.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.578 ' CE1' HD12 ' A' ' 25' ' ' LEU . 7.1 m-85 -117.63 127.31 53.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.466 ' HA ' ' CD1' ' A' ' 22' ' ' TRP . 11.4 t70 -80.02 93.19 5.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.452 ' N ' HD21 ' A' ' 32' ' ' LEU . 1.0 OUTLIER -91.9 22.26 4.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.257 -179.922 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.462 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 0.5 OUTLIER -78.25 -21.65 49.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.135 . . . . 0.0 110.46 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -90.16 -54.51 3.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.662 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -81.72 9.92 7.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.976 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.486 ' CD2' ' HA ' ' A' ' 43' ' ' GLU . 0.2 OUTLIER -55.35 -46.61 76.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.402 1.064 . . . . 0.0 109.246 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.93 -24.1 60.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.55 -0.94 52.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.363 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.611 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 16.5 t-80 -95.05 128.2 39.9 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.554 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.611 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.3 Cg_endo -75.06 -4.6 15.62 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.518 1.799 . . . . 0.0 110.973 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.565 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -67.5 -81.32 0.18 Allowed Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.429 1.081 . . . . 0.0 110.974 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.491 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.14 -163.76 28.05 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.486 ' HA ' ' CD2' ' A' ' 36' ' ' LEU . 12.1 tt0 -121.19 -14.98 8.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 0.777 . . . . 0.0 110.3 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.494 ' HA ' ' CG ' ' A' ' 47' ' ' ARG . 0.8 OUTLIER -113.2 -20.05 11.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.29 179.925 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.491 ' CG1' ' HA3' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -70.51 -46.66 69.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.273 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.501 HD22 ' CE1' ' A' ' 39' ' ' HIS . 4.6 mt -57.85 -58.98 6.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.59 1.182 . . . . 0.0 109.274 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.494 ' CG ' ' HA ' ' A' ' 44' ' ' GLU . 0.3 OUTLIER -61.74 -28.15 69.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 110.329 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' A' ' 44' ' ' GLU . 0.7 OUTLIER -46.3 -27.8 1.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.318 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 70.1 mm-40 -123.07 22.71 9.46 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.479 ' HB2' ' CG2' ' A' ' 21' ' ' THR . . . -80.98 59.12 3.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.35 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.433 ' O ' ' OE1' ' A' ' 13' ' ' GLN . . . -170.0 -36.15 0.03 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.438 1.086 . . . . 0.0 111.037 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.551 ' O ' ' CG2' ' A' ' 24' ' ' ILE . . . -108.78 -133.02 6.76 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.451 ' O ' ' CG ' ' A' ' 56' ' ' GLU . 39.3 p-10 -109.88 117.68 34.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.415 0.715 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.28 -20.71 22.63 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.419 ' HA ' ' HB3' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -49.47 -27.36 4.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 110.408 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.451 ' CG ' ' O ' ' A' ' 53' ' ' ASP . 0.1 OUTLIER -73.18 -43.22 61.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.11 . . . . 0.0 110.355 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -83.32 -31.79 26.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.421 1.076 . . . . 0.0 109.265 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.554 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 0.7 OUTLIER -68.18 -39.57 82.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 111.073 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.401 ' CD ' ' C ' ' A' ' 59' ' ' GLU . 2.1 pp20? -78.65 -20.62 49.85 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.55 1.156 . . . . 0.0 110.292 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -62.9 -57.22 11.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.448 HG12 ' CE1' ' A' ' 63' ' ' HIS . 0.5 OUTLIER -59.91 -18.73 16.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.76 77.7 0.32 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.45 1.094 . . . . 0.0 111.014 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.462 ' ND1' ' O ' ' A' ' 58' ' ' PHE . 50.5 m80 -73.31 140.14 46.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 0.741 . . . . 0.0 109.575 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 78.3 p -44.29 161.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.012 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.8 t -78.85 -10.95 59.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.443 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -99.94 9.96 42.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 70' ' ' LEU . 0.6 OUTLIER -81.29 -41.85 19.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 45.3 ttt180 -50.78 -33.76 24.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.358 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -93.38 18.85 9.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.261 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 67' ' ' VAL . 0.2 OUTLIER -96.66 -55.93 2.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.231 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.83 92.95 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.027 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.41 ' O ' ' CG1' ' A' ' 75' ' ' ILE . 0.0 OUTLIER -124.41 -38.54 2.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.0 m -94.54 -25.5 16.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 110.337 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -100.03 39.93 1.29 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.578 HG21 ' CD2' ' A' ' 30' ' ' TYR . 2.0 pp -117.39 141.18 37.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.559 HD11 ' CE3' ' A' ' 22' ' ' TRP . 0.1 OUTLIER -102.31 -42.39 8.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 149.35 -116.4 0.79 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.503 1.127 . . . . 0.0 110.986 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.442 ' CB ' ' NH2' ' A' ' 84' ' ' ARG . 4.9 pt-20 -157.96 119.96 3.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.477 0.751 . . . . 0.0 110.334 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.496 HD22 ' N ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -46.42 162.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.52 ' CG ' ' HD2' ' A' ' 81' ' ' PRO . 2.7 t-80 -36.18 144.97 0.24 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.561 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.52 ' HD2' ' CG ' ' A' ' 80' ' ' HIS . 18.6 Cg_endo -74.98 -21.85 15.46 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.497 1.788 . . . . 0.0 110.964 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -77.81 -54.02 6.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.69 -9.42 36.1 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.462 ' NH2' ' O ' ' A' ' 27' ' ' HIS . 7.1 ttt180 -59.67 -32.29 70.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.605 1.191 . . . . 0.0 110.336 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.2 t -95.73 -4.86 43.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.995 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -75.35 -41.27 56.98 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.506 1.129 . . . . 0.0 109.254 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.495 ' CD1' HG23 ' A' ' 24' ' ' ILE . 6.2 mt -65.36 -13.24 14.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.532 1.145 . . . . 0.0 109.262 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 -179.988 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.517 ' HB3' ' CE2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -84.9 136.76 33.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.262 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -92.61 92.3 7.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 0.0 110.97 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.522 ' O ' ' HB2' ' A' ' 79' ' ' LEU . 0.1 OUTLIER -102.21 129.62 48.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 111.032 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.451 ' CG2' ' HB2' ' A' ' 80' ' ' HIS . 52.2 p -81.09 164.35 22.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 110.348 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.491 ' CD1' HD22 ' A' ' 79' ' ' LEU . 4.2 mp -41.02 -37.13 0.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -47.78 -22.45 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 110.296 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.411 ' N ' ' C ' ' A' ' 9' ' ' LEU . 4.3 mm-40 -95.04 -54.93 3.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.14 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.5 mp -58.93 -32.15 46.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.423 ' HA ' ' NE2' ' A' ' 13' ' ' GLN . 13.7 mm-40 -55.05 -41.43 71.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 110.272 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.32 -5.98 45.35 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.806 ' CD2' ' CH2' ' A' ' 22' ' ' TRP . 96.9 m-70 -109.24 44.24 1.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.594 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.4 tttp -110.22 59.01 0.61 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 18' ' ' SER . 0.5 OUTLIER -157.63 150.26 22.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 109.263 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 17' ' ' ASP . 17.8 p -37.99 -53.9 1.33 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.977 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.34 -55.32 4.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 15' ' ' HIS . 0.2 OUTLIER -133.74 107.45 7.92 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 109.977 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.482 ' CG2' ' HA ' ' A' ' 47' ' ' ARG . 4.7 m -138.01 120.03 15.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.357 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.806 ' CH2' ' CD2' ' A' ' 15' ' ' HIS . 1.7 m0 -123.5 -173.4 2.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 107.984 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.508 ' CG1' ' O ' ' A' ' 22' ' ' TRP . 14.1 m -159.78 110.73 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 109.256 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.472 ' O ' ' CG1' ' A' ' 24' ' ' ILE . 1.2 pp -67.82 91.7 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.58 HD12 ' CE1' ' A' ' 30' ' ' TYR . 4.3 pp -111.6 137.39 49.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 50.12 47.51 23.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.666 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.443 ' CG ' ' HG3' ' A' ' 84' ' ' ARG . 5.3 m-70 56.1 20.3 4.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.598 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 25' ' ' LEU . 25.2 mtpt -137.67 116.22 12.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.543 HG13 ' CD1' ' A' ' 76' ' ' ILE . 4.4 p -85.83 137.28 21.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.58 ' CE1' HD12 ' A' ' 25' ' ' LEU . 4.2 m-85 -118.06 134.09 55.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.503 ' HA ' ' CD1' ' A' ' 22' ' ' TRP . 25.2 t0 -88.06 83.74 6.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.48 ' CD2' ' O ' ' A' ' 30' ' ' TYR . 0.2 OUTLIER -93.1 27.0 2.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 18' ' ' SER . 0.5 OUTLIER -75.88 -24.12 55.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.389 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.426 ' HD3' ' O ' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -90.04 -44.19 10.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 109.333 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.626 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -89.72 7.8 34.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.952 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.404 ' HB2' ' O ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -55.23 -43.1 74.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.02 -22.56 49.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.269 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -82.41 -2.46 53.16 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.466 1.104 . . . . 0.0 110.303 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.603 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 28.0 t-80 -94.19 131.72 30.84 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.595 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.603 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.5 Cg_endo -75.05 -8.55 20.12 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.443 1.759 . . . . 0.0 110.999 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.553 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -63.26 -79.24 0.16 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.497 1.123 . . . . 0.0 111.027 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.465 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.22 -165.54 30.93 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.429 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 12.9 tt0 -120.69 -14.79 8.53 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.495 0.762 . . . . 0.0 110.348 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.512 ' HA ' ' CG ' ' A' ' 47' ' ' ARG . 0.7 OUTLIER -114.45 -27.12 7.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.464 1.103 . . . . 0.0 110.309 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.491 ' HA ' ' HB2' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -71.72 -34.65 52.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 0.0 109.29 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.422 HD22 ' ND1' ' A' ' 39' ' ' HIS . 3.5 mt -68.91 -44.65 72.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.258 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.512 ' CG ' ' HA ' ' A' ' 44' ' ' GLU . 3.3 ptm180 -81.19 -23.68 37.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.318 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.491 ' HB2' ' HA ' ' A' ' 45' ' ' VAL . 0.6 OUTLIER -43.56 -25.38 0.16 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.495 1.122 . . . . 0.0 110.345 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.432 ' N ' ' C ' ' A' ' 47' ' ' ARG . 15.0 mm100 -125.03 43.41 3.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 110.356 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 47' ' ' ARG . . . -93.34 53.26 1.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.2 -35.54 0.03 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.401 1.063 . . . . 0.0 111.051 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.442 ' O ' HG13 ' A' ' 24' ' ' ILE . . . -104.74 -140.89 10.61 Favored Glycine 0 CA--C 1.531 1.056 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.79 115.17 29.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 0.79 . . . . 0.0 109.264 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.505 ' O ' ' N ' ' A' ' 58' ' ' PHE . . . -90.73 -17.68 26.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.462 ' O ' ' CG ' ' A' ' 59' ' ' GLU . 0.3 OUTLIER -49.47 -25.98 3.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 110.428 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.45 -41.81 54.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 110.316 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -85.96 -28.21 24.4 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.569 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -72.97 -39.56 66.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 110.957 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.462 ' CG ' ' O ' ' A' ' 55' ' ' THR . 2.2 pp20? -76.68 -20.36 56.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 110.251 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -58.26 -55.43 35.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.469 HG11 ' O ' ' A' ' 58' ' ' PHE . 1.2 p -63.31 -19.01 22.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.396 1.06 . . . . 0.0 109.336 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 70.55 76.83 0.51 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.446 1.091 . . . . 0.0 110.985 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.56 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 51.8 m80 -71.38 137.82 48.68 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.501 0.765 . . . . 0.0 109.598 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.7 m -48.32 155.47 0.5 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.598 1.186 . . . . 0.0 109.999 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.9 p -74.83 -23.71 58.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.424 1.077 . . . . 0.0 110.355 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -97.97 17.33 18.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 70' ' ' LEU . 1.1 p -70.27 -41.23 78.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.267 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.26 -35.14 0.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.28 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -52.12 -35.34 47.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 67' ' ' VAL . 2.9 mm? -62.0 -62.71 1.59 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.545 1.153 . . . . 0.0 109.36 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.15 57.33 0.65 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 110.011 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.42 -41.77 21.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.8 m -110.2 -8.58 14.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 110.396 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.594 ' CE2' ' HB2' ' A' ' 35' ' ' PHE . 17.6 m-85 -88.75 29.14 1.04 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.557 HD13 ' CZ ' ' A' ' 30' ' ' TYR . 1.4 mm -103.36 150.44 6.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 0.0 109.288 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.543 ' CD1' HG13 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -115.59 -45.38 4.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.219 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 154.53 -112.63 0.53 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.43 1.081 . . . . 0.0 111.037 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -167.08 119.66 0.95 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.405 0.709 . . . . 0.0 110.31 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.522 ' HB2' ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -54.0 155.67 3.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.511 ' N ' HD21 ' A' ' 79' ' ' LEU . 3.6 t-80 -33.14 142.67 0.18 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.62 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.465 ' HD2' ' CG ' ' A' ' 80' ' ' HIS . 18.3 Cg_endo -75.11 -36.14 2.66 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.492 1.786 . . . . 0.0 110.961 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.99 -44.58 95.63 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.538 1.149 . . . . 0.0 109.277 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.78 -36.08 77.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.343 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.466 ' HB2' ' CD1' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -64.41 -38.92 92.74 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.57 1.169 . . . . 0.0 110.269 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.14 -14.25 58.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.98 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -80.05 -25.29 40.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 109.362 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.51 ' O ' ' CG2' ' A' ' 87' ' ' ILE . 20.0 mt -80.8 3.18 2.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.974 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.454 HG23 ' CA ' ' A' ' 77' ' ' GLY . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.591 ' O ' ' CE2' ' A' ' 7' ' ' TYR . 0.1 OUTLIER -90.76 131.84 36.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -88.42 94.7 9.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 111.006 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.591 ' CE2' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -103.2 129.74 50.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 111.035 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.449 ' C ' ' N ' ' A' ' 10' ' ' GLU . 59.8 p -78.45 161.25 27.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.417 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.489 ' CD1' HD22 ' A' ' 79' ' ' LEU . 3.8 mp -40.26 -29.8 0.09 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.562 1.164 . . . . 0.0 109.256 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.449 ' N ' ' C ' ' A' ' 8' ' ' THR . 2.2 tt0 -51.98 -19.36 1.79 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.314 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.6 ' O ' ' CD2' ' A' ' 15' ' ' HIS . 0.6 OUTLIER -99.95 -54.82 2.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 110.373 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.4 mp -59.77 -28.51 40.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.411 ' OE1' ' CA ' ' A' ' 51' ' ' GLY . 22.1 mm100 -62.18 -43.05 99.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.55 -7.52 52.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.794 ' CD2' ' CH2' ' A' ' 22' ' ' TRP . 90.8 m-70 -105.21 46.04 0.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.589 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.3 tttp -110.14 58.06 0.61 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 20' ' ' SER . 12.1 m-20 -148.78 155.3 40.76 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 75.1 p -46.5 -44.68 17.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.042 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.1 ptmt -57.99 -41.35 82.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.344 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 17' ' ' ASP . 0.9 OUTLIER -140.03 112.29 7.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.972 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.469 ' CG2' ' HB2' ' A' ' 50' ' ' ALA . 3.4 m -145.36 113.45 6.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.359 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.794 ' CH2' ' CD2' ' A' ' 15' ' ' HIS . 3.6 m0 -117.1 -179.03 3.58 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.473 ' HB ' ' CB ' ' A' ' 54' ' ' ALA . 10.6 m -157.02 106.64 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.557 1.161 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.439 ' CG2' ' O ' ' A' ' 52' ' ' GLY . 0.0 OUTLIER -67.08 105.26 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.8 pp -125.95 128.15 47.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.349 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 43.8 t60 59.33 35.54 23.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.616 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.523 ' CG ' ' HG3' ' A' ' 84' ' ' ARG . 1.4 m170 69.96 4.93 5.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 109.607 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -121.04 110.13 15.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.557 HG13 ' CD1' ' A' ' 76' ' ' ILE . 4.3 p -86.4 137.76 20.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.257 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.579 ' CD2' HD12 ' A' ' 75' ' ' ILE . 3.4 m-85 -118.76 137.18 53.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.954 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.469 ' N ' ' CG2' ' A' ' 76' ' ' ILE . 27.8 t0 -93.86 80.15 4.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.47 ' O ' ' HB2' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -84.23 16.43 3.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.488 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 0.5 OUTLIER -63.85 -20.8 66.09 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 110.406 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.28 -53.01 4.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.582 1.176 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.678 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -85.13 12.73 7.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.978 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.488 ' CD1' ' HA ' ' A' ' 33' ' ' THR . 0.2 OUTLIER -59.04 -32.06 69.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -88.39 -18.19 28.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.429 1.081 . . . . 0.0 110.217 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.37 -4.26 59.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.304 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.621 ' HB2' ' CZ ' ' A' ' 35' ' ' PHE . 31.1 t-80 -88.79 131.46 41.46 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.591 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.61 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.3 Cg_endo -74.99 0.14 9.26 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.415 1.745 . . . . 0.0 110.967 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.581 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -74.0 -79.56 0.52 Allowed Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.564 1.165 . . . . 0.0 110.961 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.511 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.07 -163.59 27.73 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 18.5 tt0 -123.63 -16.88 6.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.421 0.718 . . . . 0.0 110.275 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.431 ' O ' ' OE2' ' A' ' 48' ' ' GLU . 0.2 OUTLIER -115.53 -12.16 11.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.289 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.511 ' CG1' ' HA3' ' A' ' 42' ' ' GLY . 0.2 OUTLIER -89.76 -23.49 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.435 HD22 ' ND1' ' A' ' 39' ' ' HIS . 5.6 mt -79.57 -36.74 37.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.428 ' HB3' ' CG2' ' A' ' 21' ' ' THR . 1.6 ptt180 -87.59 -21.97 25.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 110.285 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.431 ' OE2' ' O ' ' A' ' 44' ' ' GLU . 1.0 OUTLIER -48.25 -26.1 1.82 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 110.288 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -117.9 24.08 11.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 110.321 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.469 ' HB2' ' CG2' ' A' ' 21' ' ' THR . . . -86.63 62.23 7.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.575 1.172 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.411 ' CA ' ' OE1' ' A' ' 13' ' ' GLN . . . -170.07 -36.89 0.03 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.55 1.156 . . . . 0.0 111.014 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.439 ' O ' ' CG2' ' A' ' 24' ' ' ILE . . . -115.31 -125.61 3.97 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -109.78 121.57 45.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 0.77 . . . . 0.0 109.268 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.473 ' CB ' ' HB ' ' A' ' 23' ' ' VAL . . . -92.3 -21.83 20.07 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.612 ' HA ' ' HB3' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -49.38 -44.74 45.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.567 1.167 . . . . 0.0 110.389 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.89 -34.5 9.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.453 1.096 . . . . 0.0 110.298 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.454 ' O ' ' HB3' ' A' ' 60' ' ' ASP . 4.6 m-80 -100.28 -44.02 6.08 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.562 1.164 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.612 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 0.7 OUTLIER -58.52 -39.99 81.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.525 ' HB2' ' O ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -81.58 -16.66 50.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 110.35 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.454 ' HB3' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -70.83 -53.81 13.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 0.0 109.261 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.481 HG12 ' CE1' ' A' ' 63' ' ' HIS . 0.8 OUTLIER -59.8 -19.37 17.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 69.24 78.22 0.36 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.488 1.117 . . . . 0.0 110.926 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.489 ' ND1' ' O ' ' A' ' 58' ' ' PHE . 49.8 m80 -73.92 140.01 45.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 0.785 . . . . 0.0 109.592 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.35 151.89 0.48 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 110.036 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 53.0 p -73.22 -26.35 61.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 110.401 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -95.51 15.7 19.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.8 p -74.65 -12.43 15.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.612 1.195 . . . . 0.0 109.328 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.08 -12.4 50.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.429 1.081 . . . . 0.0 110.354 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -87.72 -11.1 49.24 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.601 1.188 . . . . 0.0 110.296 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -78.4 -67.2 0.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.348 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.3 t -87.18 91.58 8.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 110.001 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.18 -52.16 2.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.45 HG22 ' CD1' ' A' ' 74' ' ' TYR . 0.6 OUTLIER -81.22 -27.59 35.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 110.42 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.45 ' CD1' HG22 ' A' ' 73' ' ' THR . 8.5 m-85 -76.3 2.36 13.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.937 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.579 HD12 ' CD2' ' A' ' 30' ' ' TYR . 1.3 mm -69.84 148.18 11.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.485 1.115 . . . . 0.0 109.25 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.557 ' CD1' HG13 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -113.57 -42.44 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 109.289 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.454 ' CA ' HG23 ' A' ' 4' ' ' VAL . . . 149.22 -119.49 1.06 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.42 1.075 . . . . 0.0 111.033 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -160.74 119.76 2.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 0.758 . . . . 0.0 110.346 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.54 ' HB2' ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -52.65 161.07 0.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.506 ' N ' HD21 ' A' ' 79' ' ' LEU . 3.0 t-80 -36.49 139.1 0.46 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.586 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -21.01 16.45 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.507 1.793 . . . . 0.0 111.038 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.498 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 0.3 OUTLIER -79.08 -40.81 30.22 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.01 -32.5 67.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.523 ' HG3' ' CG ' ' A' ' 27' ' ' HIS . 0.0 OUTLIER -62.56 -34.28 76.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.259 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.42 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 30.4 t -89.45 -15.48 33.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 110.009 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 8.4 mmtt -68.31 -35.45 77.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.15 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 24.1 mt -71.62 -9.1 12.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 85' ' ' SER . . . . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.405 HG12 ' N ' ' A' ' 5' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.549 ' HB3' ' CE2' ' A' ' 7' ' ' TYR . 0.3 OUTLIER -84.21 136.53 33.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -93.6 94.87 8.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 111.035 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.549 ' CE2' ' HB3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -105.13 129.79 53.45 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.549 1.156 . . . . 0.0 110.991 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.463 ' O ' ' C ' ' A' ' 9' ' ' LEU . 42.8 p -76.62 160.0 29.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.409 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.563 ' O ' ' CG ' ' A' ' 13' ' ' GLN . 1.3 mp -35.61 -41.77 0.21 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 9' ' ' LEU . 49.9 tt0 -38.24 -28.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.48 1.113 . . . . 0.0 110.282 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.548 ' OE2' ' CG ' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -95.45 -53.15 3.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.321 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.469 ' CD1' ' HB3' ' A' ' 79' ' ' LEU . 34.3 mt -53.38 -34.98 23.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.563 ' CG ' ' O ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -81.96 -23.33 36.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.333 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.19 -14.68 60.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.406 1.066 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.475 ' ND1' ' CZ2' ' A' ' 22' ' ' TRP . 7.3 m170 -116.35 54.56 0.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.561 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -109.11 66.88 0.64 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.122 . . . . 0.0 109.254 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 20' ' ' SER . 16.2 m-20 -150.47 157.94 43.59 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.557 1.161 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.8 t -48.43 -44.72 35.44 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.438 1.086 . . . . 0.0 110.029 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -41.56 91.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 17' ' ' ASP . 0.2 OUTLIER -140.04 115.4 9.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.988 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.491 ' CG2' ' HA ' ' A' ' 47' ' ' ARG . 2.2 m -150.26 126.58 10.72 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.479 1.112 . . . . 0.0 110.376 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.475 ' CZ2' ' ND1' ' A' ' 15' ' ' HIS . 1.6 m0 -124.81 -174.34 3.01 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.444 ' CG1' ' O ' ' A' ' 22' ' ' TRP . 3.2 m -160.05 111.69 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.524 ' CG2' ' O ' ' A' ' 52' ' ' GLY . 1.1 tt -69.25 100.01 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.347 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.471 ' HG ' ' CD1' ' A' ' 30' ' ' TYR . 3.8 pp -118.94 124.77 47.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.152 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 77.0 m80 65.78 37.1 5.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.577 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 19.7 m170 66.55 12.43 8.74 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.388 1.055 . . . . 0.0 109.634 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.404 ' O ' ' CE1' ' A' ' 30' ' ' TYR . 32.0 mtpt -126.83 121.98 33.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 109.255 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.555 HG13 ' CD1' ' A' ' 76' ' ' ILE . 10.5 p -90.24 133.24 32.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.586 ' CD2' HG21 ' A' ' 75' ' ' ILE . 29.0 m-85 -121.46 133.54 55.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 110.988 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.465 ' CB ' HG23 ' A' ' 76' ' ' ILE . 14.3 t0 -91.44 92.14 8.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.445 ' N ' HD21 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -100.8 20.15 15.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.442 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 0.4 OUTLIER -66.58 -21.75 66.14 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.376 1.048 . . . . 0.0 110.375 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.6 tppt? -82.81 -50.88 8.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.22 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.555 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -87.91 7.21 31.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.973 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.442 ' CD1' ' HA ' ' A' ' 33' ' ' THR . 0.2 OUTLIER -55.34 -37.69 67.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.358 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.18 -21.85 39.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.293 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -85.81 -7.58 58.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.24 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.592 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 34.7 t-80 -83.66 133.18 47.09 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.546 1.154 . . . . 0.0 109.576 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.592 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.3 Cg_endo -75.09 -15.44 20.55 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.494 1.786 . . . . 0.0 110.999 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.584 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -56.22 -80.63 0.08 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.581 1.176 . . . . 0.0 110.984 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.489 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.05 -164.49 29.18 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.419 ' O ' ' CG ' ' A' ' 43' ' ' GLU . 7.3 tt0 -123.27 -12.81 7.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 0.753 . . . . 0.0 110.252 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 48' ' ' GLU . 0.2 OUTLIER -119.48 -1.55 10.68 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.517 1.136 . . . . 0.0 110.342 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.489 ' CG1' ' HA3' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -100.18 -26.96 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.446 HD22 ' CE1' ' A' ' 39' ' ' HIS . 1.9 mt -79.56 -33.84 41.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.421 1.076 . . . . 0.0 109.343 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.491 ' HA ' ' CG2' ' A' ' 21' ' ' THR . 5.2 ptm180 -91.38 -17.58 25.61 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 110.313 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.402 ' HB2' ' HA ' ' A' ' 45' ' ' VAL . 2.0 tm-20 -56.88 -16.47 6.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.349 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -121.17 30.23 6.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.241 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.451 ' HB2' ' CG2' ' A' ' 21' ' ' THR . . . -87.0 52.85 2.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.16 -35.46 0.03 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.584 1.178 . . . . 0.0 111.033 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.524 ' O ' ' CG2' ' A' ' 24' ' ' ILE . . . -109.93 -138.85 8.15 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -109.71 120.53 42.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.432 0.724 . . . . 0.0 109.341 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -87.7 -18.3 29.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.337 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.595 ' HA ' ' HB3' ' A' ' 58' ' ' PHE . 0.5 OUTLIER -49.47 -50.57 40.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 110.408 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -44.02 -32.97 1.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.289 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.482 ' O ' ' HB3' ' A' ' 60' ' ' ASP . 18.6 m-20 -99.1 -50.39 4.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.595 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 1.3 t80 -51.52 -39.87 58.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 111.031 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.457 ' HB2' ' O ' ' A' ' 55' ' ' THR . 0.2 OUTLIER -78.66 -23.66 45.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.339 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.482 ' HB3' ' O ' ' A' ' 57' ' ' ASN . 23.6 t0 -64.3 -56.48 14.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.573 HG12 ' CE1' ' A' ' 63' ' ' HIS . 0.3 OUTLIER -59.9 -17.44 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 66.1 79.46 0.2 Allowed Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.528 1.142 . . . . 0.0 111.0 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.573 ' CE1' HG12 ' A' ' 61' ' ' VAL . 56.6 m80 -75.86 138.93 41.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.421 0.718 . . . . 0.0 109.562 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.404 ' O ' ' HB ' ' A' ' 67' ' ' VAL . 2.6 m -53.64 161.01 1.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.999 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.3 m -78.65 -9.29 59.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.384 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.41 ' O ' ' CD ' ' A' ' 69' ' ' GLU . 45.5 m-20 -100.1 7.53 44.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.34 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.404 ' HB ' ' O ' ' A' ' 64' ' ' SER . 0.5 OUTLIER -74.68 -30.32 24.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.414 1.071 . . . . 0.0 109.3 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.1 ptt85 -62.08 -30.84 71.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 110.298 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.41 ' CD ' ' O ' ' A' ' 66' ' ' ASP . 5.2 pt-20 -62.49 -17.44 59.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.307 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.2 mt -89.94 -40.75 12.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 74' ' ' TYR . 1.0 OUTLIER -67.35 -29.5 69.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.015 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 71' ' ' SER . 1.8 mmtt -39.41 -39.69 0.71 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.6 m -87.34 -34.92 18.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 110.41 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.461 ' N ' ' O ' ' A' ' 71' ' ' SER . 5.0 m-85 -100.03 57.69 0.98 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.084 . . . . 0.0 110.989 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.586 HG21 ' CD2' ' A' ' 30' ' ' TYR . 2.2 pp -123.92 162.16 25.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.555 ' CD1' HG13 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -125.47 -44.45 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 153.02 -114.16 0.61 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.465 1.103 . . . . 0.0 111.017 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -165.44 119.79 1.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 0.727 . . . . 0.0 110.338 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.549 HD21 ' N ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -47.93 162.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.582 1.176 . . . . 0.0 109.314 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.549 ' N ' HD21 ' A' ' 79' ' ' LEU . 4.0 t-80 -40.58 143.42 0.68 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.105 . . . . 0.0 109.625 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.491 ' HD2' ' CG ' ' A' ' 80' ' ' HIS . 18.2 Cg_endo -75.01 -28.27 9.29 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.451 1.763 . . . . 0.0 111.018 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -71.67 -42.88 66.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.243 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.86 -30.99 66.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.314 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.17 -34.09 73.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.271 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 29.1 t -83.17 -8.95 59.42 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 109.931 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -89.35 -24.16 22.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.272 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.7 mt -61.97 -13.52 9.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.338 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 -179.972 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.435 ' CG2' ' HA3' ' A' ' 77' ' ' GLY . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.501 ' O ' ' CE2' ' A' ' 7' ' ' TYR . 22.3 tttt -87.7 139.28 30.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -93.13 90.93 7.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 111.04 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.501 ' CE2' ' O ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -98.57 129.7 45.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 111.036 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.428 ' C ' ' N ' ' A' ' 10' ' ' GLU . 14.9 p -78.34 155.47 30.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.409 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.492 ' CD1' HD22 ' A' ' 79' ' ' LEU . 3.2 mp -39.69 -31.92 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.428 ' N ' ' C ' ' A' ' 8' ' ' THR . 1.4 tt0 -48.62 -26.09 2.08 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.525 1.141 . . . . 0.0 110.282 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.408 ' OE1' ' HB3' ' A' ' 10' ' ' GLU . 2.7 mm-40 -97.25 -55.74 2.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.584 1.178 . . . . 0.0 110.213 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.0 mp -49.17 -38.52 11.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 37.0 mm-40 -54.46 -26.44 31.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.607 1.192 . . . . 0.0 110.332 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.13 -8.52 56.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.265 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.811 ' CE1' ' CZ2' ' A' ' 22' ' ' TRP . 36.4 m-70 -108.97 51.16 0.75 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.514 1.134 . . . . 0.0 109.598 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.5 ttpt -110.14 52.43 0.73 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -160.14 163.33 33.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.7 p -50.64 -49.83 55.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 110.006 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.86 -46.65 21.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.91 114.17 9.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.987 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.479 ' HB ' ' CD1' ' A' ' 36' ' ' LEU . 1.3 m -136.35 115.92 12.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.339 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.811 ' CZ2' ' CE1' ' A' ' 15' ' ' HIS . 41.2 m0 -114.56 175.42 5.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.467 1.104 . . . . 0.0 108.034 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.517 ' CG1' ' O ' ' A' ' 22' ' ' TRP . 26.6 m -157.7 99.29 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.468 ' HA ' ' HA ' ' A' ' 29' ' ' VAL . 4.0 tp -69.19 100.09 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 28' ' ' LYS . 4.3 pp -118.97 136.0 54.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.549 ' O ' ' CG ' ' A' ' 27' ' ' HIS . 24.1 m-70 46.04 51.65 10.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 109.585 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.549 ' CG ' ' O ' ' A' ' 26' ' ' HIS . 21.2 p-80 53.24 28.29 7.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.624 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.44 ' HG2' ' O ' ' A' ' 26' ' ' HIS . 10.2 mmmm -140.72 109.56 6.04 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.566 1.166 . . . . 0.0 109.286 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.574 ' CG2' ' HB3' ' A' ' 22' ' ' TRP . 11.1 p -88.76 138.75 18.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.622 ' CE2' ' CD1' ' A' ' 75' ' ' ILE . 5.8 m-85 -123.96 145.45 49.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.534 1.146 . . . . 0.0 111.013 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.568 ' N ' ' CG2' ' A' ' 76' ' ' ILE . 8.2 t70 -97.61 99.6 10.99 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.59 HD11 ' CE1' ' A' ' 35' ' ' PHE . 0.5 OUTLIER -94.56 -3.4 49.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.435 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 0.4 OUTLIER -52.72 -18.43 1.82 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.597 1.186 . . . . 0.0 110.334 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -90.19 -57.02 2.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.335 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.735 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -89.41 21.16 3.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.586 1.178 . . . . 0.0 110.977 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.563 ' N ' ' O ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -60.84 -41.02 95.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.01 -18.17 40.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.338 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -86.74 -5.3 59.16 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.538 1.149 . . . . 0.0 110.241 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.601 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 25.1 t-80 -86.06 130.22 51.03 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.634 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.601 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.3 Cg_endo -75.07 -3.55 14.09 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.476 1.777 . . . . 0.0 111.007 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.6 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -67.76 -80.42 0.21 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.535 1.147 . . . . 0.0 110.965 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.456 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.08 -166.92 32.92 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.434 ' O ' ' CG ' ' A' ' 43' ' ' GLU . 7.0 tt0 -122.74 -10.88 8.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 0.749 . . . . 0.0 110.315 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.433 ' O ' ' HB2' ' A' ' 48' ' ' GLU . 9.8 pm0 -119.48 -1.89 10.62 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.522 1.139 . . . . 0.0 110.281 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.456 ' CG1' ' HA3' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -100.35 -28.67 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.41 ' CD2' ' HD1' ' A' ' 39' ' ' HIS . 1.2 mt -77.27 -32.39 55.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.425 ' HA ' HG22 ' A' ' 21' ' ' THR . 0.0 OUTLIER -88.61 -21.47 23.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.245 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.433 ' HB2' ' O ' ' A' ' 44' ' ' GLU . 0.5 OUTLIER -63.03 -12.93 29.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 0.0 110.322 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.511 ' OE1' ' CB ' ' A' ' 57' ' ' ASN . 1.2 mt-30 -135.71 41.14 2.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.352 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.416 ' HA ' ' O ' ' A' ' 22' ' ' TRP . . . -104.09 60.7 0.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.418 1.074 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.26 -37.39 0.03 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.538 1.149 . . . . 0.0 110.969 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -106.26 -138.38 9.09 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -110.0 116.59 31.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.582 0.813 . . . . 0.0 109.275 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.441 ' HB2' ' HB ' ' A' ' 23' ' ' VAL . . . -92.72 -12.4 31.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.45 ' O ' ' CG ' ' A' ' 59' ' ' GLU . 0.6 OUTLIER -49.45 -24.88 2.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 110.39 179.904 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.6 -43.18 39.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.164 . . . . 0.0 110.374 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.511 ' CB ' ' OE1' ' A' ' 49' ' ' GLN . 1.3 m120 -84.62 -29.28 25.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.581 ' CE1' ' HB2' ' A' ' 63' ' ' HIS . 1.1 t80 -71.04 -39.71 72.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.45 ' CG ' ' O ' ' A' ' 55' ' ' THR . 1.6 pp20? -76.66 -21.2 55.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 110.242 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -59.72 -57.42 12.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 109.347 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.504 HG12 ' CE1' ' A' ' 63' ' ' HIS . 0.8 OUTLIER -62.13 -16.63 16.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 179.883 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 66.87 80.64 0.18 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.533 1.146 . . . . 0.0 111.015 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.581 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 59.9 m80 -73.0 140.04 47.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 0.741 . . . . 0.0 109.593 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.03 139.9 58.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 110.015 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.3 t -59.75 -15.65 21.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 110.427 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.4 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 0.4 OUTLIER -85.79 8.0 21.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.427 1.08 . . . . 0.0 109.304 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.6 p -84.9 -23.8 7.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.351 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.6 tpp85 -53.67 -27.91 30.36 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 66' ' ' ASP . 2.5 pt-20 -86.68 -26.98 24.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -55.63 -60.3 3.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.582 1.176 . . . . 0.0 109.313 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.4 p -85.32 61.82 7.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.969 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.26 -46.03 11.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.3 m -94.93 -12.72 26.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.375 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 6.5 m-30 -89.49 22.81 2.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 111.038 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.622 ' CD1' ' CE2' ' A' ' 30' ' ' TYR . 0.9 OUTLIER -94.42 148.36 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.155 . . . . 0.0 109.295 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.679 ' CD1' ' CE3' ' A' ' 22' ' ' TRP . 0.1 OUTLIER -114.24 -41.33 3.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.435 ' HA3' ' CG2' ' A' ' 4' ' ' VAL . . . 150.49 -113.06 0.57 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.479 1.112 . . . . 0.0 111.076 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.411 ' HB3' ' HD2' ' A' ' 28' ' ' LYS . 16.9 pt-20 -170.12 119.85 0.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 0.77 . . . . 0.0 110.32 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.519 HD21 ' N ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -53.17 157.03 1.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.083 . . . . 0.0 109.286 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.519 ' N ' HD21 ' A' ' 79' ' ' LEU . 5.0 t-80 -35.92 142.35 0.3 Allowed Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 0.0 109.586 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.465 ' HD2' ' CG ' ' A' ' 80' ' ' HIS . 18.3 Cg_endo -74.98 -29.07 8.64 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.518 1.799 . . . . 0.0 110.94 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -71.73 -42.59 67.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -70.79 -32.72 69.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.343 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.466 ' HG3' ' CB ' ' A' ' 27' ' ' HIS . 0.0 OUTLIER -61.35 -32.48 72.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.339 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 42.5 t -88.18 -11.45 46.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.998 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.67 -30.51 41.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.444 HD13 ' CD2' ' A' ' 9' ' ' LEU . 6.6 mm -67.96 -9.27 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.464 1.103 . . . . 0.0 109.238 179.959 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.589 ' O ' ' CE2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -84.25 130.92 34.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.449 1.093 . . . . 0.0 109.315 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -89.39 94.25 9.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 111.07 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.589 ' CE2' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -99.62 129.87 45.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.973 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.457 ' O ' ' C ' ' A' ' 9' ' ' LEU . 6.9 p -80.72 157.13 25.95 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 110.398 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.511 ' CD1' HD21 ' A' ' 79' ' ' LEU . 2.9 mp -36.46 -34.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 8' ' ' THR . 1.7 tt0 -43.15 -25.98 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.353 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.59 ' O ' ' CD2' ' A' ' 15' ' ' HIS . 12.0 mm-40 -96.85 -56.36 2.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 0.0 110.264 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.8 mp -51.21 -38.28 18.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.167 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -59.35 -42.72 92.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 110.337 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.83 -6.19 47.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.812 ' CD2' ' CH2' ' A' ' 22' ' ' TRP . 87.6 m-70 -106.2 45.23 0.99 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.669 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.5 ttpt -110.31 56.83 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 109.286 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.408 ' O ' ' OG1' ' A' ' 21' ' ' THR . 0.3 OUTLIER -153.87 154.07 33.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 109.243 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.42 ' O ' ' OG1' ' A' ' 33' ' ' THR . 76.5 p -42.97 -46.41 5.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.973 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -50.09 -56.99 8.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.415 ' O ' ' O ' ' A' ' 15' ' ' HIS . 0.5 OUTLIER -130.71 110.9 11.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.001 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.45 ' HA ' ' O ' ' A' ' 15' ' ' HIS . 3.2 m -143.17 118.28 10.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.339 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.812 ' CH2' ' CD2' ' A' ' 15' ' ' HIS . 1.1 m0 -124.47 -178.08 4.01 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.45 ' CG1' ' O ' ' A' ' 22' ' ' TRP . 16.2 m -157.26 110.37 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.492 ' CG2' ' O ' ' A' ' 52' ' ' GLY . 4.7 tt -57.28 118.99 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.359 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.586 HD13 ' CE1' ' A' ' 30' ' ' TYR . 43.4 mt -100.16 51.79 0.9 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.475 1.11 . . . . 0.0 109.331 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.415 ' O ' ' HE3' ' A' ' 28' ' ' LYS . 0.1 OUTLIER 70.35 70.95 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.615 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.685 ' HD1' ' NE ' ' A' ' 84' ' ' ARG . 0.3 OUTLIER 70.85 36.65 1.47 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.617 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.429 ' HE2' ' HB3' ' A' ' 28' ' ' LYS . 0.6 OUTLIER -170.34 89.07 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.553 HG13 ' CD1' ' A' ' 76' ' ' ILE . 3.9 p -81.22 145.86 8.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.261 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.586 ' CE1' HD13 ' A' ' 25' ' ' LEU . 5.7 m-85 -122.99 133.92 54.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 110.969 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.487 ' CB ' HG23 ' A' ' 76' ' ' ILE . 7.2 t0 -90.42 88.01 7.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.437 1.085 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.503 ' N ' HD21 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -96.65 17.07 17.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.429 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 0.6 OUTLIER -65.5 -18.12 65.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 110.374 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.99 -53.42 4.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.582 1.176 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.59 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -84.22 10.33 10.63 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.508 1.13 . . . . 0.0 110.962 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.429 ' CD1' ' HA ' ' A' ' 33' ' ' THR . 0.2 OUTLIER -55.53 -45.1 77.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.48 -23.9 53.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.603 1.19 . . . . 0.0 110.287 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -82.8 -4.91 58.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 110.309 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.585 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 33.2 t-80 -86.75 132.7 41.5 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.439 1.087 . . . . 0.0 109.58 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.585 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.5 Cg_endo -74.95 -15.18 21.02 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.443 1.76 . . . . 0.0 111.043 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.584 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -57.37 -81.19 0.07 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.447 1.092 . . . . 0.0 111.035 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.507 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.2 -165.3 30.55 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 9.9 tt0 -122.42 -13.58 8.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.564 0.802 . . . . 0.0 110.282 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -118.36 -1.03 11.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.337 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.507 ' CG1' ' HA3' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -100.05 -30.08 3.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.494 HD22 ' CE1' ' A' ' 39' ' ' HIS . 1.8 mt -75.67 -37.47 59.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.43 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 5.4 ptm180 -86.9 -22.33 25.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.412 1.07 . . . . 0.0 110.237 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.413 ' HB2' ' HA ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -47.43 -24.79 0.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 110.283 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.3 mm100 -122.35 33.74 5.37 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.093 . . . . 0.0 110.329 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.437 ' CB ' HG22 ' A' ' 21' ' ' THR . . . -84.78 52.91 2.53 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.19 -35.91 0.03 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.454 1.096 . . . . 0.0 110.977 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.492 ' O ' ' CG2' ' A' ' 24' ' ' ILE . . . -104.93 -142.15 11.24 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -110.0 118.88 37.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 0.728 . . . . 0.0 109.287 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -94.16 -14.52 25.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.615 1.197 . . . . 0.0 109.337 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.458 ' HA ' ' HB3' ' A' ' 58' ' ' PHE . 0.5 OUTLIER -49.64 -27.02 4.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.575 1.172 . . . . 0.0 110.408 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.81 -45.21 62.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.41 ' O ' ' HB3' ' A' ' 60' ' ' ASP . 83.2 m-20 -83.63 -30.78 26.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.568 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -69.1 -39.5 78.93 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.41 1.069 . . . . 0.0 110.994 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.446 ' CG ' ' O ' ' A' ' 55' ' ' THR . 2.6 pp20? -76.44 -23.05 53.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.41 ' HB3' ' O ' ' A' ' 57' ' ' ASN . 3.0 t0 -59.27 -58.19 9.74 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.536 1.147 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.466 HG11 ' O ' ' A' ' 58' ' ' PHE . 0.9 OUTLIER -60.08 -19.05 17.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.61 79.68 0.23 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.458 ' ND1' ' O ' ' A' ' 58' ' ' PHE . 61.6 m80 -72.28 133.8 45.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 0.778 . . . . 0.0 109.616 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.474 ' O ' ' HB ' ' A' ' 67' ' ' VAL . 24.9 p -63.84 163.42 11.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.98 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 52.3 m -72.79 -6.57 45.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.427 1.079 . . . . 0.0 110.375 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.402 ' O ' ' CD ' ' A' ' 69' ' ' GLU . 10.4 m-20 -86.19 -7.7 58.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.474 ' HB ' ' O ' ' A' ' 64' ' ' SER . 0.7 OUTLIER -67.5 -32.27 56.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.451 ' HB3' ' NH1' ' A' ' 68' ' ' ARG . 9.8 ttp-105 -60.69 -39.23 87.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 110.326 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.421 ' HG2' ' CD2' ' A' ' 70' ' ' LEU . 3.2 pt-20 -54.4 -24.71 20.94 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.554 1.159 . . . . 0.0 110.337 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.421 ' CD2' ' HG2' ' A' ' 69' ' ' GLU . 3.2 mm? -85.06 -56.59 3.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.474 ' HB2' ' CD2' ' A' ' 30' ' ' TYR . 86.1 p -45.06 -28.77 0.75 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.137 . . . . 0.0 109.946 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.42 -34.01 0.48 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.7 m -102.56 -30.91 10.68 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.512 1.132 . . . . 0.0 110.447 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.569 ' CE2' ' CB ' ' A' ' 35' ' ' PHE . 7.2 m-85 -99.96 70.09 1.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.976 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.563 HD13 ' CE2' ' A' ' 30' ' ' TYR . 1.6 mm -138.02 151.65 25.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.602 HD11 ' CE3' ' A' ' 22' ' ' TRP . 0.1 OUTLIER -122.9 -43.86 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 150.07 -115.81 0.74 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.479 1.112 . . . . 0.0 110.975 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -165.25 119.76 1.28 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 0.749 . . . . 0.0 110.293 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.584 HD23 ' N ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -48.58 162.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.584 ' N ' HD23 ' A' ' 79' ' ' LEU . 7.6 t-80 -41.84 143.01 1.01 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.62 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.574 ' HA ' ' CE1' ' A' ' 27' ' ' HIS . 18.2 Cg_endo -75.06 -29.82 7.73 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.438 1.757 . . . . 0.0 111.026 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.471 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 2.4 t0 -72.28 -39.11 68.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -77.17 -24.77 51.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.685 ' NE ' ' HD1' ' A' ' 27' ' ' HIS . 0.0 OUTLIER -65.53 -33.88 76.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.324 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.419 ' N ' ' HD3' ' A' ' 84' ' ' ARG . 28.4 t -77.28 -9.79 59.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.423 1.077 . . . . 0.0 110.019 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -85.86 -27.11 25.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.428 1.08 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 11.5 mm -63.3 -12.02 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.963 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.445 HG12 ' N ' ' A' ' 5' ' ' LYS . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.611 ' O ' ' CZ ' ' A' ' 7' ' ' TYR . 0.6 OUTLIER -94.76 136.14 35.42 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.562 1.164 . . . . 0.0 109.239 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -87.95 91.26 8.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.99 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.611 ' CZ ' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -100.22 129.79 46.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 111.015 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 9' ' ' LEU . 61.9 p -76.88 155.4 32.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.444 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.544 ' N ' HD11 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -36.59 -35.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.221 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 8' ' ' THR . 3.2 tt0 -40.66 -28.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.281 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.424 ' N ' ' C ' ' A' ' 9' ' ' LEU . 17.3 mm-40 -98.93 -54.69 2.92 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 0.0 110.234 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.4 mp -53.53 -37.91 32.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.409 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 11.4 pt20 -72.48 -31.42 65.38 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.113 . . . . 0.0 110.329 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.59 -4.96 40.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.397 1.061 . . . . 0.0 109.338 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.671 ' ND1' ' CZ2' ' A' ' 22' ' ' TRP . 15.8 m-70 -114.07 57.16 0.7 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.15 . . . . 0.0 109.594 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.01 55.94 0.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.346 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 20' ' ' SER . 0.2 OUTLIER -143.0 157.18 44.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 68.3 p -50.86 -42.85 59.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 110.03 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.92 -39.2 88.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 17' ' ' ASP . 0.6 OUTLIER -140.07 113.59 8.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.045 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.462 ' HA ' ' O ' ' A' ' 15' ' ' HIS . 1.8 m -153.81 118.69 5.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 110.393 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.671 ' CZ2' ' ND1' ' A' ' 15' ' ' HIS . 0.4 OUTLIER -126.92 -179.99 5.11 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.031 -1.099 . . . . 0.0 108.031 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.458 ' HB ' ' CB ' ' A' ' 54' ' ' ALA . 16.1 m -153.76 114.23 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.439 ' HA ' ' HA ' ' A' ' 29' ' ' VAL . 1.3 pp -67.54 87.91 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.432 ' O ' ' O ' ' A' ' 28' ' ' LYS . 2.7 pp -114.96 130.81 57.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.529 ' O ' ' CD ' ' A' ' 28' ' ' LYS . 1.5 t60 70.11 31.92 3.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.594 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.471 ' CG ' ' O ' ' A' ' 27' ' ' HIS . 56.0 t60 67.59 7.58 5.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.602 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.529 ' CD ' ' O ' ' A' ' 26' ' ' HIS . 0.2 OUTLIER -134.76 121.28 20.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.346 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.515 HG13 ' CD1' ' A' ' 76' ' ' ILE . 1.7 p -78.72 151.9 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.348 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.58 ' CG ' HD12 ' A' ' 75' ' ' ILE . 7.6 m-85 -128.15 127.6 43.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.997 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.445 ' CB ' HG23 ' A' ' 76' ' ' ILE . 6.1 t0 -87.79 77.15 8.64 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -86.83 12.29 11.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.393 1.058 . . . . 0.0 109.305 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.408 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 1.2 t -61.41 -15.97 42.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 0.0 110.337 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.26 -52.73 4.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.58 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -87.54 10.26 18.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.587 1.179 . . . . 0.0 111.046 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -55.16 -41.45 71.85 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.48 1.113 . . . . 0.0 109.264 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.6 -24.89 45.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.348 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -83.46 -3.54 57.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.532 1.145 . . . . 0.0 110.335 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.605 ' CE1' ' HA3' ' A' ' 41' ' ' GLY . 32.3 t-80 -85.97 132.07 44.95 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.611 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.583 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.4 Cg_endo -74.99 -13.2 21.49 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.488 1.783 . . . . 0.0 111.033 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.605 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -59.53 -82.05 0.07 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.544 1.153 . . . . 0.0 111.033 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.451 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.15 -163.64 27.87 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.45 ' O ' ' CG ' ' A' ' 43' ' ' GLU . 8.0 tt0 -122.46 -10.69 8.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 110.275 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 48' ' ' GLU . 4.5 pm0 -121.24 -1.11 9.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 110.276 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.451 ' CG1' ' HA3' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -100.11 -25.23 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.543 HD22 ' CE1' ' A' ' 39' ' ' HIS . 1.4 mt -82.22 -33.45 29.3 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.442 ' CB ' HG22 ' A' ' 21' ' ' THR . 0.0 OUTLIER -92.49 -20.02 21.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 110.305 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' A' ' 44' ' ' GLU . 1.8 tm-20 -48.88 -25.21 1.78 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.17 . . . . 0.0 110.306 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -117.67 31.87 6.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.45 ' HB2' ' CG2' ' A' ' 21' ' ' THR . . . -88.43 60.87 5.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.26 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.13 -38.41 0.03 OUTLIER Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.44 1.087 . . . . 0.0 111.03 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -116.13 -132.07 4.94 Favored Glycine 0 CA--C 1.531 1.059 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -109.99 117.12 32.92 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 0.768 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.528 ' O ' ' N ' ' A' ' 58' ' ' PHE . . . -90.47 -9.92 45.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.438 ' O ' ' CG ' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -49.52 -30.0 7.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.365 1.041 . . . . 0.0 110.369 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.81 -46.12 63.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.3 m-20 -80.81 -30.66 35.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.583 1.177 . . . . 0.0 109.246 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.54 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -71.64 -39.68 70.23 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.572 1.17 . . . . 0.0 110.971 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.438 ' CG ' ' O ' ' A' ' 55' ' ' THR . 2.1 pp20? -79.85 -17.02 54.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.285 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -59.9 -53.56 56.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.575 HG12 ' CE1' ' A' ' 63' ' ' HIS . 0.5 OUTLIER -66.84 -17.75 23.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.376 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 65.86 78.78 0.22 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.475 1.11 . . . . 0.0 110.986 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.575 ' CE1' HG12 ' A' ' 61' ' ' VAL . 75.2 m80 -72.49 140.06 48.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.431 0.724 . . . . 0.0 109.609 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.412 ' O ' ' HB ' ' A' ' 67' ' ' VAL . 1.6 t -63.34 169.11 3.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.565 1.166 . . . . 0.0 109.972 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.2 t -73.32 -10.91 60.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.163 . . . . 0.0 110.367 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -85.2 -3.77 58.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.15 . . . . 0.0 109.31 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.412 ' HB ' ' O ' ' A' ' 64' ' ' SER . 0.8 OUTLIER -80.8 -23.23 10.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 17.7 ttt-85 -72.68 -30.96 64.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.573 1.171 . . . . 0.0 110.268 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -93.11 7.89 42.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.77 -60.72 2.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.9 m -86.4 69.19 10.4 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.111 . . . . 0.0 109.983 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -76.86 -51.21 11.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.9 m -89.31 -37.27 15.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.42 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.488 ' O ' ' C ' ' A' ' 75' ' ' ILE . 22.5 m-30 -51.73 -46.21 63.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 111.026 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.58 HD12 ' CG ' ' A' ' 30' ' ' TYR . 1.2 mm -33.86 140.14 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.515 ' CD1' HG13 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -103.67 -47.73 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.262 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 158.36 -112.69 0.54 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.503 1.127 . . . . 0.0 110.951 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -168.48 119.47 0.78 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.52 0.776 . . . . 0.0 110.315 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.528 ' HB2' ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -56.23 163.81 1.51 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.588 ' CE1' ' HB2' ' A' ' 82' ' ' ASP . 3.3 t-80 -42.07 141.02 1.43 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.581 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.557 ' HD2' ' CD2' ' A' ' 80' ' ' HIS . 18.3 Cg_endo -74.97 -28.41 9.25 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.477 1.778 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.588 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 0.5 OUTLIER -76.12 -31.75 58.8 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.413 ' OD2' HD13 ' A' ' 9' ' ' LEU . 2.7 m-20 -86.33 -19.74 29.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.462 ' HB2' ' CD1' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -70.1 -30.35 67.53 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.534 1.146 . . . . 0.0 110.276 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.408 ' N ' ' HD3' ' A' ' 84' ' ' ARG . 1.0 OUTLIER -87.99 -11.15 48.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.368 1.042 . . . . 0.0 109.98 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.6 mtpt -94.33 -16.33 23.61 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.465 ' CG1' HD21 ' A' ' 9' ' ' LEU . 13.2 mt -68.98 -6.38 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 109.338 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.421 HG12 ' N ' ' A' ' 5' ' ' LYS . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.48 ' O ' ' CE2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -88.69 139.03 30.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -91.89 90.88 7.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.577 1.173 . . . . 0.0 110.974 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.498 ' O ' ' HB2' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -98.03 129.97 44.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 111.022 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.469 ' O ' ' C ' ' A' ' 9' ' ' LEU . 13.2 p -81.2 158.37 24.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.429 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.545 ' O ' ' CG ' ' A' ' 13' ' ' GLN . 0.8 OUTLIER -35.51 -40.59 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 9' ' ' LEU . 4.8 tp10 -34.69 -32.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.274 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.511 ' N ' ' O ' ' A' ' 9' ' ' LEU . 17.6 mm-40 -96.65 -51.95 4.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.494 ' CD1' ' HB3' ' A' ' 79' ' ' LEU . 0.5 OUTLIER -50.66 -38.67 17.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.167 . . . . 0.0 109.345 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.545 ' CG ' ' O ' ' A' ' 9' ' ' LEU . 0.8 OUTLIER -77.18 -25.34 51.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.093 . . . . 0.0 110.348 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -75.19 -13.12 60.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.594 ' ND1' ' CZ2' ' A' ' 22' ' ' TRP . 9.9 m-70 -116.93 55.27 0.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.419 1.075 . . . . 0.0 109.589 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.7 tttm -108.97 64.43 0.61 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -157.25 152.97 26.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.423 1.077 . . . . 0.0 109.291 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 19' ' ' LYS . 8.0 t -39.58 -58.94 1.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.975 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -39.8 -54.28 2.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.31 109.85 7.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 110.021 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.475 ' CG2' ' HA ' ' A' ' 47' ' ' ARG . 1.6 m -140.94 122.55 15.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.413 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.594 ' CZ2' ' ND1' ' A' ' 15' ' ' HIS . 1.4 m0 -120.56 -173.72 2.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 107.997 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.477 ' CG1' ' O ' ' A' ' 22' ' ' TRP . 5.6 m -159.98 111.72 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 109.342 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.481 ' C ' ' CD1' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -71.61 99.67 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 109.38 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.554 HD12 ' CE1' ' A' ' 30' ' ' TYR . 4.3 pp -118.2 133.59 55.77 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.563 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 0.2 OUTLIER 54.49 35.05 22.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.592 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.564 ' CG ' ' O ' ' A' ' 27' ' ' HIS . 3.6 t60 70.67 8.29 6.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.575 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.563 ' HG2' ' O ' ' A' ' 26' ' ' HIS . 0.0 OUTLIER -124.04 117.15 24.06 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.507 1.129 . . . . 0.0 109.249 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.545 HG13 ' CD1' ' A' ' 76' ' ' ILE . 5.4 p -88.41 141.92 13.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.586 1.179 . . . . 0.0 109.245 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.573 ' CD2' HG21 ' A' ' 75' ' ' ILE . 28.4 m-85 -124.53 132.87 53.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.093 . . . . 0.0 111.037 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.438 ' CB ' HG23 ' A' ' 76' ' ' ILE . 15.3 t70 -90.67 79.82 6.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -86.8 14.91 6.37 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.463 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 0.5 OUTLIER -63.81 -17.86 63.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 110.415 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -90.08 -54.96 3.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.354 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.642 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -85.01 12.03 8.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 111.031 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.463 ' CD1' ' HA ' ' A' ' 33' ' ' THR . 0.2 OUTLIER -56.46 -40.22 74.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.38 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.65 -19.2 45.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.6 -2.35 58.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.339 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.594 ' CE1' ' HA3' ' A' ' 41' ' ' GLY . 28.5 t-80 -91.29 131.27 37.07 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.574 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.587 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.1 Cg_endo -74.97 -9.84 21.0 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.593 1.839 . . . . 0.0 111.019 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.594 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -61.43 -81.32 0.09 OUTLIER Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.485 1.116 . . . . 0.0 111.055 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.457 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.25 -165.28 30.56 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.455 ' O ' ' CG ' ' A' ' 43' ' ' GLU . 14.0 tt0 -122.71 -10.39 8.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 0.747 . . . . 0.0 110.248 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.564 ' O ' ' CG ' ' A' ' 44' ' ' GLU . 5.0 tt0 -120.68 -2.0 9.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.457 ' CG1' ' HA3' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -99.82 -27.51 3.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.383 1.052 . . . . 0.0 109.333 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.458 HD22 ' CE1' ' A' ' 39' ' ' HIS . 1.2 mt -79.57 -33.71 41.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.133 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.475 ' HA ' ' CG2' ' A' ' 21' ' ' THR . 10.0 ptm180 -90.26 -21.54 22.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.258 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -52.37 -29.31 23.3 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -105.41 15.9 26.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 110.258 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.468 ' HB2' ' CG2' ' A' ' 21' ' ' THR . . . -80.37 54.99 2.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.08 -35.42 0.03 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.473 1.108 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.476 ' O ' ' CG2' ' A' ' 24' ' ' ILE . . . -118.77 -127.43 3.68 Favored Glycine 0 CA--C 1.529 0.969 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.438 ' HB2' HG21 ' A' ' 55' ' ' THR . 26.3 p-10 -109.64 123.83 50.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 0.747 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.468 ' CB ' ' HB ' ' A' ' 23' ' ' VAL . . . -93.23 -21.4 19.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 109.286 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.611 ' HA ' ' HB3' ' A' ' 58' ' ' PHE . 0.2 OUTLIER -49.53 -47.41 48.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 110.403 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.37 -32.17 4.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.488 ' O ' ' HB3' ' A' ' 60' ' ' ASP . 6.3 m-20 -100.09 -45.51 5.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.611 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 1.0 OUTLIER -58.57 -39.96 81.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.574 1.171 . . . . 0.0 111.025 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.498 ' HB2' ' O ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -80.72 -19.38 45.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 110.277 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.488 ' HB3' ' O ' ' A' ' 57' ' ' ASN . 0.2 OUTLIER -67.02 -55.57 13.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.58 HG12 ' CE1' ' A' ' 63' ' ' HIS . 0.6 OUTLIER -59.82 -18.33 15.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 68.14 78.63 0.29 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.522 1.139 . . . . 0.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.58 ' CE1' HG12 ' A' ' 61' ' ' VAL . 56.5 m80 -75.5 140.13 42.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 0.752 . . . . 0.0 109.612 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 41.0 t -54.54 157.85 2.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.402 1.064 . . . . 0.0 109.947 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.7 m -78.37 -25.7 46.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 110.413 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -85.19 7.8 20.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -77.43 -25.97 15.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.283 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -59.94 -23.38 63.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 110.348 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -71.65 -21.59 61.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.57 1.169 . . . . 0.0 110.237 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.94 -62.61 1.49 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.217 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 62.3 p -74.85 86.19 2.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.596 1.185 . . . . 0.0 109.987 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.511 ' O ' ' CG1' ' A' ' 75' ' ' ILE . 0.1 OUTLIER -127.71 -43.3 1.56 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.1 m -90.73 -19.81 23.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.354 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.405 ' O ' ' C ' ' A' ' 75' ' ' ILE . 14.5 m-85 -85.81 -36.63 19.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.573 HG21 ' CD2' ' A' ' 30' ' ' TYR . 0.7 OUTLIER -39.15 141.26 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.91 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.545 ' CD1' HG13 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -103.23 -42.02 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 151.62 -116.14 0.74 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -160.74 120.02 2.65 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 0.777 . . . . 0.0 110.311 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.558 HD22 ' N ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -54.31 159.3 2.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.263 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.558 ' N ' HD22 ' A' ' 79' ' ' LEU . 2.6 t-80 -35.67 139.11 0.39 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.561 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.548 ' O ' ' HG3' ' A' ' 84' ' ' ARG . 18.3 Cg_endo -75.07 -24.36 12.78 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.526 1.803 . . . . 0.0 110.994 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.7 -17.23 51.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.5 ' HB2' ' CD2' ' A' ' 79' ' ' LEU . 0.5 OUTLIER -89.7 -43.4 10.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.548 ' HG3' ' O ' ' A' ' 81' ' ' PRO . 0.2 OUTLIER -59.62 -23.13 62.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 110.334 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.88 -8.98 29.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 109.955 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -82.03 -32.45 30.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.435 1.084 . . . . 0.0 109.351 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.452 HD12 ' CD2' ' A' ' 9' ' ' LEU . 28.5 mt -69.35 -6.53 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.127 . . . . 0.0 109.243 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.14 . . . . 0.0 109.337 179.971 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.472 HG23 ' CA ' ' A' ' 77' ' ' GLY . 1.1 t . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.675 ' O ' ' CE2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -99.42 141.42 32.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -79.95 101.69 8.77 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.675 ' CE2' ' O ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -103.8 129.84 51.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 111.006 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.493 ' CG2' ' HB2' ' A' ' 80' ' ' HIS . 44.3 p -81.76 160.89 23.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.395 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.529 ' O ' ' CG ' ' A' ' 13' ' ' GLN . 1.0 OUTLIER -34.75 -39.82 0.1 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 9' ' ' LEU . 67.7 tt0 -35.84 -31.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.24 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' A' ' 9' ' ' LEU . 20.0 mm-40 -102.54 -46.67 4.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.323 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -54.88 -36.51 37.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.282 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.529 ' CG ' ' O ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -82.14 -24.74 34.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.596 1.185 . . . . 0.0 110.242 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.88 -30.55 65.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.658 ' ND1' ' CZ2' ' A' ' 22' ' ' TRP . 13.3 m-70 -93.93 58.79 2.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.598 1.186 . . . . 0.0 109.649 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.3 tmtt? -110.2 60.77 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 20' ' ' SER . 3.0 m-20 -155.42 151.0 27.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.255 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.6 t -39.61 -51.11 2.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.024 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.8 -46.81 42.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.435 1.084 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 17' ' ' ASP . 0.3 OUTLIER -140.13 113.15 8.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.133 . . . . 0.0 109.989 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.46 ' CG2' ' HB2' ' A' ' 50' ' ' ALA . 7.6 m -145.68 116.83 7.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 110.423 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.658 ' CZ2' ' ND1' ' A' ' 15' ' ' HIS . 1.1 m0 -121.9 -177.82 3.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 108.009 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.482 ' CG1' ' O ' ' A' ' 22' ' ' TRP . 10.6 m -159.25 109.85 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.427 1.079 . . . . 0.0 109.361 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.439 HD13 ' C ' ' A' ' 24' ' ' ILE . 0.1 OUTLIER -63.94 109.07 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.57 HD12 ' CE1' ' A' ' 30' ' ' TYR . 4.3 pp -132.67 129.54 38.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 31.4 m80 61.92 34.5 16.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 109.591 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.4 m80 70.11 2.27 3.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.544 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.41 ' O ' ' O ' ' A' ' 25' ' ' LEU . 0.3 OUTLIER -123.21 117.98 26.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.23 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.541 HG13 ' CD1' ' A' ' 76' ' ' ILE . 5.5 p -84.99 141.96 13.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.596 ' CG ' HD12 ' A' ' 75' ' ' ILE . 5.1 m-85 -123.18 134.42 54.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 0.0 110.985 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -85.42 86.34 7.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.465 ' O ' ' HB2' ' A' ' 36' ' ' LEU . 1.3 mt -82.85 12.29 5.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.477 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 0.4 OUTLIER -69.78 -18.66 63.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 110.405 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.19 -52.48 4.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.25 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.691 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -89.98 15.75 9.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.968 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.477 ' CD1' ' HA ' ' A' ' 33' ' ' THR . 0.2 OUTLIER -57.42 -50.36 73.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.348 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.46 -22.75 61.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.446 1.091 . . . . 0.0 110.328 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -82.19 -1.64 49.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 110.248 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.597 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 28.6 t-80 -94.08 131.48 31.52 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.626 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.597 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.3 Cg_endo -74.97 -8.82 20.45 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.502 1.791 . . . . 0.0 111.004 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.566 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -62.65 -80.76 0.11 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.559 1.162 . . . . 0.0 110.957 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.482 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.21 -164.01 28.51 Favored Glycine 0 CA--C 1.531 1.051 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 12.4 tt0 -123.34 -12.57 7.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 0.783 . . . . 0.0 110.304 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -118.77 -7.72 10.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.272 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.482 ' CG1' ' HA3' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -93.61 -27.54 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 109.275 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.432 HD22 ' ND1' ' A' ' 39' ' ' HIS . 2.0 mt -77.31 -36.45 54.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.421 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 0.2 OUTLIER -87.73 -19.68 27.26 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.45 ' O ' ' NE2' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -53.03 -21.97 5.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.313 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.45 ' NE2' ' O ' ' A' ' 48' ' ' GLU . 64.8 mm-40 -124.82 30.21 5.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.31 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.46 ' HB2' ' CG2' ' A' ' 21' ' ' THR . . . -87.2 57.72 4.62 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -169.99 -36.17 0.03 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.545 1.153 . . . . 0.0 111.016 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -106.7 -136.17 8.19 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.43 ' O ' ' CG ' ' A' ' 56' ' ' GLU . 25.3 p-10 -109.81 117.23 33.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 0.786 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.422 ' CB ' ' HB ' ' A' ' 23' ' ' VAL . . . -91.42 -19.62 22.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.118 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.456 ' HA ' ' HB3' ' A' ' 58' ' ' PHE . 0.6 OUTLIER -49.78 -29.39 7.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.421 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.43 ' CG ' ' O ' ' A' ' 53' ' ' ASP . 0.1 OUTLIER -68.84 -46.34 68.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.333 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -80.92 -33.4 34.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.578 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 0.7 OUTLIER -66.61 -39.78 88.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 111.008 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.407 ' C ' ' CD ' ' A' ' 59' ' ' GLU . 2.3 pp20? -78.26 -21.61 49.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.255 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -62.64 -56.43 17.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.443 HG11 ' O ' ' A' ' 58' ' ' PHE . 1.1 p -60.17 -21.45 22.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 71.71 77.29 0.54 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.542 1.151 . . . . 0.0 110.959 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.463 ' ND1' ' O ' ' A' ' 58' ' ' PHE . 48.0 m80 -70.31 140.16 52.22 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.493 0.761 . . . . 0.0 109.58 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.422 ' O ' ' HB ' ' A' ' 67' ' ' VAL . 4.5 t -63.46 168.0 4.99 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.471 1.107 . . . . 0.0 110.057 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 11.2 t -73.95 -10.21 59.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.4 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -86.77 -3.6 59.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.422 ' HB ' ' O ' ' A' ' 64' ' ' SER . 1.2 t -82.6 -37.07 13.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.339 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.7 ttt180 -63.53 -29.43 70.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 110.248 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -90.49 -28.46 18.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 110.257 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.48 -59.88 3.35 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.2 m -75.62 123.65 25.88 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.998 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.89 -64.41 0.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.3 m -77.42 -29.51 53.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.456 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.419 ' O ' ' C ' ' A' ' 75' ' ' ILE . 21.0 m-85 -62.13 -38.24 88.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.596 HD12 ' CG ' ' A' ' 30' ' ' TYR . 0.6 OUTLIER -38.96 140.06 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.536 1.147 . . . . 0.0 109.267 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.567 HD11 ' CE3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -99.68 -48.48 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.426 1.079 . . . . 0.0 109.306 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.472 ' CA ' HG23 ' A' ' 4' ' ' VAL . . . 162.25 -111.37 0.47 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.411 1.07 . . . . 0.0 110.975 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -164.36 119.69 1.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 0.736 . . . . 0.0 110.358 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.521 HD23 ' N ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -61.77 155.27 23.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.168 . . . . 0.0 109.327 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.521 ' N ' HD23 ' A' ' 79' ' ' LEU . 1.8 t-80 -32.32 134.59 0.27 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.562 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -18.5 18.67 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.515 1.798 . . . . 0.0 110.969 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -80.02 -36.77 35.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.67 -28.94 40.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.454 ' HB2' ' CD1' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -63.06 -35.54 80.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.572 1.17 . . . . 0.0 110.366 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.2 t -85.91 -12.04 51.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.006 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -81.89 -34.78 29.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.472 HD12 ' CD2' ' A' ' 9' ' ' LEU . 14.5 mt -68.89 -11.07 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 87' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.372 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.505 ' CG2' ' HA3' ' A' ' 77' ' ' GLY . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.64 ' O ' ' CE2' ' A' ' 7' ' ' TYR . 1.0 OUTLIER -93.52 124.7 37.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -80.22 87.61 5.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.64 ' CE2' ' O ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -97.56 129.78 44.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 111.021 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 66.5 p -77.72 164.3 25.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.44 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.469 ' CD1' HD21 ' A' ' 79' ' ' LEU . 3.7 mp -42.93 -31.02 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.411 ' C ' ' OE1' ' A' ' 11' ' ' GLU . 0.8 OUTLIER -48.39 -23.41 0.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 110.325 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.411 ' OE1' ' C ' ' A' ' 10' ' ' GLU . 3.1 mm-40 -100.48 -54.33 2.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.144 . . . . 0.0 110.353 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.7 mp -55.06 -33.64 29.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.251 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -56.24 -38.8 71.58 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.72 -8.43 54.15 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.509 1.13 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.801 ' CD2' ' CH2' ' A' ' 22' ' ' TRP . 93.6 m-70 -108.84 46.11 0.99 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 0.0 109.558 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.9 ttmt -110.19 56.69 0.62 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.107 . . . . 0.0 109.256 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.43 ' O ' ' OG1' ' A' ' 21' ' ' THR . 2.2 t70 -157.31 152.21 25.72 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 17' ' ' ASP . 85.0 p -37.49 -56.32 1.02 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.41 1.069 . . . . 0.0 110.028 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.2 -51.25 6.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.363 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.42 ' O ' ' O ' ' A' ' 15' ' ' HIS . 0.1 OUTLIER -135.61 110.6 8.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.982 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.512 ' CG2' ' HA ' ' A' ' 47' ' ' ARG . 18.7 m -140.99 117.23 10.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.461 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.801 ' CH2' ' CD2' ' A' ' 15' ' ' HIS . 2.6 m0 -121.76 -175.67 3.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 108.061 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.502 ' CG1' ' O ' ' A' ' 22' ' ' TRP . 15.4 m -159.28 108.76 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.411 1.069 . . . . 0.0 109.327 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' ' 24' ' ' ILE . 1.1 pp -67.99 102.08 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.597 HD12 ' CE1' ' A' ' 30' ' ' TYR . 3.8 pp -121.09 122.55 40.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.227 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.461 ' O ' ' CD ' ' A' ' 28' ' ' LYS . 2.2 m80 62.6 35.86 14.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.596 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.55 ' CG ' ' O ' ' A' ' 27' ' ' HIS . 1.1 t60 70.24 3.54 4.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.555 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.461 ' CD ' ' O ' ' A' ' 26' ' ' HIS . 0.1 OUTLIER -117.81 109.18 16.25 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.54 HG13 ' CD1' ' A' ' 76' ' ' ILE . 2.9 p -84.75 138.94 18.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.475 1.109 . . . . 0.0 109.337 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.597 ' CE1' HD12 ' A' ' 25' ' ' LEU . 4.0 m-85 -119.87 134.26 55.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.968 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.506 ' HA ' ' CD1' ' A' ' 22' ' ' TRP . 14.1 t70 -89.77 77.07 7.12 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.453 1.096 . . . . 0.0 109.221 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.461 ' O ' ' HB2' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -82.45 15.83 2.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.481 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 0.5 OUTLIER -64.72 -20.75 66.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.437 1.085 . . . . 0.0 110.425 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -90.19 -52.96 4.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.658 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -85.64 12.01 9.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.165 . . . . 0.0 110.94 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.481 ' CD1' ' HA ' ' A' ' 33' ' ' THR . 0.2 OUTLIER -56.27 -42.85 78.09 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.405 1.066 . . . . 0.0 109.274 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -79.27 -22.7 44.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 110.329 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -82.09 -4.39 56.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.286 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.62 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 27.9 t-80 -89.19 131.74 39.85 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 109.603 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.62 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.4 Cg_endo -74.97 -8.17 19.86 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.514 1.797 . . . . 0.0 110.975 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.575 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -63.57 -80.68 0.12 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.473 1.108 . . . . 0.0 110.95 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.487 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.08 -167.75 34.06 Favored Glycine 0 CA--C 1.528 0.899 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.419 ' O ' ' CG ' ' A' ' 43' ' ' GLU . 8.3 tt0 -122.43 -12.18 8.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 0.743 . . . . 0.0 110.371 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.558 ' O ' ' CG ' ' A' ' 44' ' ' GLU . 6.2 tt0 -118.46 -2.6 11.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.342 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.487 ' CG1' ' HA3' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -99.94 -30.94 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.374 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.2 mt -73.83 -36.38 64.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.157 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.512 ' HA ' ' CG2' ' A' ' 21' ' ' THR . 8.1 ptm180 -86.81 -26.67 23.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 110.329 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.432 ' HB2' ' O ' ' A' ' 44' ' ' GLU . 0.5 OUTLIER -51.08 -21.13 1.71 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 110.341 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.441 ' OE1' ' HB2' ' A' ' 57' ' ' ASN . 8.1 mt-30 -120.89 27.68 8.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.413 1.07 . . . . 0.0 110.263 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.472 ' HB2' ' CG2' ' A' ' 21' ' ' THR . . . -90.58 60.46 4.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.251 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.09 -37.11 0.03 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.483 1.115 . . . . 0.0 110.953 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.421 ' O ' HG13 ' A' ' 24' ' ' ILE . . . -112.26 -135.94 6.65 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -109.82 120.52 42.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.418 0.717 . . . . 0.0 109.272 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -98.68 -14.24 19.91 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.454 1.097 . . . . 0.0 109.285 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.467 ' O ' ' CG ' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -49.61 -28.42 5.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.428 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -71.04 -41.94 70.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.147 . . . . 0.0 110.328 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.441 ' HB2' ' OE1' ' A' ' 49' ' ' GLN . 2.5 m120 -84.5 -35.11 23.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.524 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 1.6 t80 -66.16 -39.6 89.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.084 . . . . 0.0 110.968 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.467 ' CG ' ' O ' ' A' ' 55' ' ' THR . 2.1 pp20? -78.91 -22.08 46.41 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.517 1.136 . . . . 0.0 110.294 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.405 ' HB3' ' O ' ' A' ' 57' ' ' ASN . 0.4 OUTLIER -61.36 -56.48 19.9 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.456 1.097 . . . . 0.0 109.272 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.44 HG11 ' O ' ' A' ' 58' ' ' PHE . 1.0 OUTLIER -59.85 -16.6 11.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.338 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 65.0 80.74 0.14 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.509 1.13 . . . . 0.0 111.029 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.433 ' ND1' ' O ' ' A' ' 58' ' ' PHE . 54.0 m80 -69.93 139.89 52.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.421 0.718 . . . . 0.0 109.639 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.55 167.8 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.09 . . . . 0.0 109.987 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 22.1 p -76.08 -16.7 59.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 110.408 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -89.47 8.23 32.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -78.53 -30.15 15.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.447 ' HG3' ' N ' ' A' ' 69' ' ' GLU . 4.3 ptt180 -65.36 -27.57 68.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.255 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.447 ' N ' ' HG3' ' A' ' 68' ' ' ARG . 13.9 pt-20 -100.18 17.49 21.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.79 -64.72 1.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 74.6 m -89.86 96.35 10.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.034 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.88 -63.26 1.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.5 m -71.64 -38.21 70.77 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.522 1.139 . . . . 0.0 110.423 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.443 ' O ' ' C ' ' A' ' 75' ' ' ILE . 18.2 m-85 -54.55 -41.2 69.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.574 1.171 . . . . 0.0 111.028 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.574 HD12 ' CD2' ' A' ' 30' ' ' TYR . 1.1 mm -35.88 142.49 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.54 ' CD1' HG13 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -106.78 -43.96 7.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.096 . . . . 0.0 109.271 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.505 ' HA3' ' CG2' ' A' ' 4' ' ' VAL . . . 155.87 -110.89 0.46 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.454 1.096 . . . . 0.0 111.016 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.433 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 4.1 pt-20 -170.04 119.74 0.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 0.78 . . . . 0.0 110.356 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.518 HD23 ' N ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -60.64 152.83 25.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.275 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.518 ' N ' HD23 ' A' ' 79' ' ' LEU . 2.0 t-80 -31.08 137.39 0.2 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.654 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 80' ' ' HIS . 18.0 Cg_endo -75.09 -19.16 17.94 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.527 1.804 . . . . 0.0 110.973 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -79.99 -45.42 18.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.42 ' O ' ' HB2' ' A' ' 86' ' ' LYS . 0.4 OUTLIER -66.65 -32.79 74.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.286 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.471 ' HB2' ' CD1' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -64.81 -39.57 93.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.327 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.402 ' O ' ' HB1' ' A' ' 88' ' ' ALA . 47.6 t -87.27 -4.72 59.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 110.0 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.42 ' HB2' ' O ' ' A' ' 83' ' ' ASP . 1.3 mttt -71.23 -41.88 69.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.419 ' O ' HG21 ' A' ' 87' ' ' ILE . 21.6 mt -84.9 -7.26 10.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.423 1.077 . . . . 0.0 109.334 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.402 ' HB1' ' O ' ' A' ' 85' ' ' SER . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.337 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.402 HG12 ' N ' ' A' ' 5' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.552 ' O ' ' CE2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -86.43 135.9 33.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -89.74 93.27 9.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 111.058 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.595 ' CE1' HD12 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -98.88 129.84 45.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 110.993 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.471 ' O ' ' C ' ' A' ' 9' ' ' LEU . 19.9 p -84.19 158.26 21.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.404 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.569 ' O ' ' CG ' ' A' ' 13' ' ' GLN . 1.5 mp -35.21 -35.87 0.05 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.555 1.16 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.472 ' O ' ' HB2' ' A' ' 14' ' ' LYS . 3.4 tt0 -36.43 -29.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 110.334 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.533 ' N ' ' O ' ' A' ' 9' ' ' LEU . 3.8 mm-40 -101.43 -54.43 2.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 0.0 110.26 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.454 ' CD1' ' HB2' ' A' ' 79' ' ' LEU . 3.1 mp -48.14 -40.0 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.243 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.569 ' CG ' ' O ' ' A' ' 9' ' ' LEU . 1.4 pt20 -76.09 -27.73 57.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.362 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.472 ' HB2' ' O ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -75.26 -13.96 60.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.647 ' ND1' ' CZ2' ' A' ' 22' ' ' TRP . 12.7 m-70 -111.7 59.74 0.62 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.621 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -110.11 48.83 0.88 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 18' ' ' SER . 6.7 t0 -142.33 145.32 33.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 17' ' ' ASP . 56.2 p -37.33 -49.4 0.97 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.046 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.44 -55.16 4.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.239 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.25 111.26 7.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.974 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.463 ' CG2' ' HB2' ' A' ' 50' ' ' ALA . 1.9 m -139.16 127.76 23.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.09 . . . . 0.0 110.438 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.647 ' CZ2' ' ND1' ' A' ' 15' ' ' HIS . 1.2 m0 -125.44 -177.62 3.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 108.021 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.504 ' CG1' ' O ' ' A' ' 22' ' ' TRP . 27.9 m -158.51 110.66 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.441 ' HA ' ' HA ' ' A' ' 29' ' ' VAL . 0.9 OUTLIER -67.84 120.4 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.282 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 28' ' ' LYS . 3.2 pp -141.21 150.27 42.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 7.8 t60 44.27 28.49 0.29 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.605 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.411 ' C ' ' HG2' ' A' ' 28' ' ' LYS . 8.6 m-70 69.79 42.4 1.07 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 109.538 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 25' ' ' LEU . 2.5 ptpt -160.65 120.49 2.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.323 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.581 HG12 ' CD1' ' A' ' 76' ' ' ILE . 6.0 p -82.89 138.52 19.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 0.0 109.267 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.561 ' CZ ' ' CD1' ' A' ' 75' ' ' ILE . 5.6 m-85 -119.2 136.76 54.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 111.03 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.464 ' HB2' ' CG2' ' A' ' 76' ' ' ILE . 18.9 t0 -90.47 77.32 6.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.416 ' O ' ' HB2' ' A' ' 36' ' ' LEU . 0.2 OUTLIER -88.09 21.35 2.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.466 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 1.0 OUTLIER -71.34 -23.68 61.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.425 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.424 ' N ' HG23 ' A' ' 33' ' ' THR . 0.0 OUTLIER -86.32 -50.53 6.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.65 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -86.26 11.68 11.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.085 . . . . 0.0 111.048 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.466 ' CD1' ' HA ' ' A' ' 33' ' ' THR . 0.2 OUTLIER -59.5 -44.97 92.97 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.555 1.16 . . . . 0.0 109.334 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.52 -24.07 50.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.402 1.064 . . . . 0.0 110.276 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -81.2 -8.23 59.72 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.543 1.152 . . . . 0.0 110.283 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.6 ' CE1' ' HA3' ' A' ' 41' ' ' GLY . 34.6 t-80 -85.38 132.78 43.93 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.586 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.583 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.4 Cg_endo -74.99 -14.2 21.22 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.469 1.773 . . . . 0.0 110.988 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.6 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -57.94 -79.65 0.1 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.606 1.191 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.467 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.21 -166.27 32.04 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.437 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 10.6 tt0 -120.06 -14.26 8.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 0.755 . . . . 0.0 110.263 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.529 ' HA ' ' CG ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -113.88 -27.87 7.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 110.299 -179.93 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.498 ' HA ' ' HB2' ' A' ' 48' ' ' GLU . 0.2 OUTLIER -69.39 -42.53 81.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.552 1.157 . . . . 0.0 109.349 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.457 HD22 ' CE1' ' A' ' 39' ' ' HIS . 1.3 mt -61.86 -49.73 75.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.353 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.529 ' CG ' ' HA ' ' A' ' 44' ' ' GLU . 0.8 OUTLIER -74.75 -24.73 58.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.405 1.066 . . . . 0.0 110.277 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.498 ' HB2' ' HA ' ' A' ' 45' ' ' VAL . 0.7 OUTLIER -43.66 -28.31 0.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.39 1.056 . . . . 0.0 110.285 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.408 ' HB2' ' CB ' ' A' ' 54' ' ' ALA . 94.1 mm-40 -118.5 40.23 3.27 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.513 1.133 . . . . 0.0 110.25 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.463 ' HB2' ' CG2' ' A' ' 21' ' ' THR . . . -97.81 57.87 1.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 0.0 109.307 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.13 -36.17 0.03 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.4 ' O ' HG13 ' A' ' 24' ' ' ILE . . . -117.14 -128.85 4.15 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 41.0 p-10 -109.91 122.77 48.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 0.75 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.408 ' CB ' ' HB2' ' A' ' 49' ' ' GLN . . . -103.27 -12.97 16.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.237 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.477 ' O ' ' CG ' ' A' ' 59' ' ' GLU . 0.9 OUTLIER -49.56 -29.9 7.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 110.352 -179.938 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.0 -43.93 66.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.3 m-20 -81.56 -31.33 32.72 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.423 1.077 . . . . 0.0 109.303 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.622 ' CD1' ' CE1' ' A' ' 63' ' ' HIS . 11.9 t80 -71.85 -39.67 69.55 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 110.987 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.477 ' CG ' ' O ' ' A' ' 55' ' ' THR . 2.2 pp20? -82.6 -15.1 53.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -57.95 -52.45 65.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.155 . . . . 0.0 109.259 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.586 HG12 ' CE1' ' A' ' 63' ' ' HIS . 0.5 OUTLIER -66.76 -16.99 21.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.333 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.28 80.52 0.19 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.622 ' CE1' ' CD1' ' A' ' 58' ' ' PHE . 67.3 m80 -76.41 139.42 40.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 0.773 . . . . 0.0 109.578 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.418 ' O ' ' HB ' ' A' ' 67' ' ' VAL . 3.4 t -68.33 157.86 34.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.002 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 69.9 p -55.8 -17.24 5.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.412 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -73.32 -17.43 61.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.548 HG23 ' CD2' ' A' ' 63' ' ' HIS . 0.4 OUTLIER -69.96 -29.8 41.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.415 1.072 . . . . 0.0 109.357 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.1 tpp180 -64.04 -37.69 88.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -95.88 27.56 3.5 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 0.0 110.324 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.61 -57.6 2.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.351 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.4 p -94.54 70.88 3.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 110.021 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -81.24 -56.75 3.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.9 m -72.63 -45.39 59.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.39 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.478 ' O ' ' C ' ' A' ' 75' ' ' ILE . 20.1 m-85 -50.58 -43.76 56.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 110.949 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.561 ' CD1' ' CZ ' ' A' ' 30' ' ' TYR . 0.7 OUTLIER -33.87 139.87 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.595 HD12 ' CE1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -105.43 -49.39 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.418 ' N ' ' CG1' ' A' ' 76' ' ' ILE . . . 163.0 -112.8 0.53 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.538 1.149 . . . . 0.0 110.945 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -164.31 119.37 1.48 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 0.747 . . . . 0.0 110.298 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.524 HD21 ' N ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -52.07 157.73 1.25 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.524 ' N ' HD21 ' A' ' 79' ' ' LEU . 5.1 t-80 -33.98 141.66 0.23 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.632 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.446 ' HD2' ' CG ' ' A' ' 80' ' ' HIS . 18.4 Cg_endo -75.02 -30.39 7.19 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.493 1.786 . . . . 0.0 110.991 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.419 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 2.0 t0 -70.47 -47.08 62.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.543 1.152 . . . . 0.0 109.237 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.2 -34.0 77.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.417 ' HD3' ' N ' ' A' ' 85' ' ' SER . 0.0 OUTLIER -60.02 -37.74 80.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.265 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.417 ' N ' ' HD3' ' A' ' 84' ' ' ARG . 41.0 t -77.48 -12.68 59.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.984 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.1 mtpt -93.53 -13.96 27.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.414 ' O ' HG21 ' A' ' 87' ' ' ILE . 33.4 mt -71.23 -4.54 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.348 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.961 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.47 ' CG2' ' HA3' ' A' ' 77' ' ' GLY . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.628 ' O ' ' CE2' ' A' ' 7' ' ' TYR . 1.3 ttpt -86.31 120.37 27.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -74.11 58.3 0.69 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.435 1.084 . . . . 0.0 110.967 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.628 ' CE2' ' O ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -64.14 129.81 41.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.993 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 10' ' ' GLU . 44.9 p -78.4 156.31 29.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.165 . . . . 0.0 110.382 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.537 ' N ' HD11 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -37.87 -32.03 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 8' ' ' THR . 0.4 OUTLIER -43.33 -29.97 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 110.276 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -97.75 -52.63 3.68 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.44 1.087 . . . . 0.0 110.287 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.517 ' HA ' ' CZ3' ' A' ' 22' ' ' TRP . 3.6 mp -53.31 -38.92 33.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.418 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 5.1 pt20 -72.86 -27.64 62.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.05 -6.02 39.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.221 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.663 ' ND1' ' CZ2' ' A' ' 22' ' ' TRP . 10.7 m-70 -118.52 59.81 0.81 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.599 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.38 64.05 0.61 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.543 1.152 . . . . 0.0 109.331 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -149.99 165.56 32.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.235 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 76.6 p -61.24 -36.18 79.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.94 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.6 -49.88 71.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.582 1.176 . . . . 0.0 109.32 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.99 105.95 7.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.968 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.482 HG23 ' CD1' ' A' ' 36' ' ' LEU . 0.4 OUTLIER -141.4 128.83 21.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.442 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.663 ' CZ2' ' ND1' ' A' ' 15' ' ' HIS . 1.9 m0 -125.41 -175.02 3.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 107.979 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.439 HG22 ' CD2' ' A' ' 25' ' ' LEU . 10.6 m -157.16 110.26 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.417 ' HA ' ' HA ' ' A' ' 29' ' ' VAL . 1.3 pp -69.78 94.71 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.438 1.086 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.471 ' CB ' ' HB ' ' A' ' 55' ' ' THR . 2.9 pp -117.94 142.91 46.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.2 m170 53.51 32.78 14.8 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.538 1.149 . . . . 0.0 109.631 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.534 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 19.1 t-160 69.41 7.62 6.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.566 1.166 . . . . 0.0 109.613 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.442 ' O ' ' O ' ' A' ' 25' ' ' LEU . 4.8 mttm -126.63 122.64 35.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.324 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.552 HG13 ' CD1' ' A' ' 76' ' ' ILE . 2.8 p -85.01 139.1 17.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.599 ' CE2' HD13 ' A' ' 75' ' ' ILE . 4.3 m-85 -120.35 130.03 54.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 111.018 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.479 ' CB ' HG23 ' A' ' 76' ' ' ILE . 6.0 t0 -88.22 85.09 6.87 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.477 ' N ' HD21 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -94.39 20.47 8.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -67.29 -16.22 64.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 110.438 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -90.22 -52.48 4.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.582 ' CZ ' ' HB2' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -83.13 6.35 19.49 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.482 ' CD1' HG23 ' A' ' 21' ' ' THR . 0.2 OUTLIER -54.36 -37.76 65.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.241 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -82.99 -20.07 35.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.303 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -84.61 -9.93 57.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.295 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.59 ' CE1' ' HA3' ' A' ' 41' ' ' GLY . 33.3 t-80 -82.81 132.59 50.98 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.635 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.585 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.4 Cg_endo -74.91 -17.04 20.1 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.552 1.817 . . . . 0.0 111.019 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.59 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -54.64 -80.72 0.07 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.519 1.137 . . . . 0.0 111.029 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.484 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -173.93 -167.89 34.15 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 16.0 tt0 -121.91 -13.65 8.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 0.763 . . . . 0.0 110.296 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -117.22 -1.25 11.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.484 ' CG1' ' HA3' ' A' ' 42' ' ' GLY . 0.2 OUTLIER -100.45 -32.85 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.463 HD22 ' CE1' ' A' ' 39' ' ' HIS . 6.3 mt -70.04 -47.14 63.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.414 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 0.3 OUTLIER -75.61 -27.92 58.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.273 -179.91 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.4 ' HB2' ' HA ' ' A' ' 45' ' ' VAL . 0.3 OUTLIER -44.99 -35.09 2.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.563 1.165 . . . . 0.0 110.298 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -115.06 29.98 7.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.581 1.175 . . . . 0.0 110.365 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.41 ' CB ' ' HA ' ' A' ' 47' ' ' ARG . . . -99.29 67.63 1.58 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.09 -37.03 0.03 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.458 1.099 . . . . 0.0 111.022 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.408 ' O ' ' CG1' ' A' ' 24' ' ' ILE . . . -118.23 -121.22 3.07 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.504 ' CG ' HG21 ' A' ' 55' ' ' THR . 11.6 t70 -109.85 115.67 30.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 0.754 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -105.36 -21.24 13.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.346 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.504 HG21 ' CG ' ' A' ' 53' ' ' ASP . 0.3 OUTLIER -49.54 -21.9 1.1 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 110.42 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.462 ' HG3' ' N ' ' A' ' 57' ' ' ASN . 1.0 OUTLIER -80.55 -36.04 33.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 110.249 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.462 ' N ' ' HG3' ' A' ' 56' ' ' GLU . 5.0 m-20 -90.2 -28.08 19.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.687 ' CD1' ' CE1' ' A' ' 63' ' ' HIS . 10.6 t80 -71.78 -39.23 70.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.418 1.074 . . . . 0.0 110.979 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.434 ' CG ' ' O ' ' A' ' 55' ' ' THR . 2.4 pp20? -79.38 -18.73 51.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.269 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.4 ' HB3' ' O ' ' A' ' 57' ' ' ASN . 12.8 t70 -52.0 -54.44 29.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.615 HG12 ' CE1' ' A' ' 63' ' ' HIS . 0.5 OUTLIER -63.83 -19.09 23.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 72.58 78.62 0.5 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.547 1.154 . . . . 0.0 111.025 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.687 ' CE1' ' CD1' ' A' ' 58' ' ' PHE . 58.2 m80 -77.66 135.51 38.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 0.784 . . . . 0.0 109.591 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.481 ' O ' ' HB ' ' A' ' 67' ' ' VAL . 23.5 t -80.39 156.39 26.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.951 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 94.7 m -50.55 -17.46 0.51 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.399 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.429 ' N ' ' C ' ' A' ' 64' ' ' SER . 1.0 OUTLIER -67.09 -9.8 43.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.247 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.488 HG23 ' CD2' ' A' ' 63' ' ' HIS . 0.5 OUTLIER -77.05 -33.87 21.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.306 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.427 ' N ' HG13 ' A' ' 67' ' ' VAL . 60.6 ttt-85 -54.59 -41.2 69.61 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.513 1.133 . . . . 0.0 110.227 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.41 ' HG2' ' N ' ' A' ' 70' ' ' LEU . 4.2 pt-20 -59.7 -31.33 69.49 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.52 1.138 . . . . 0.0 110.265 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.41 ' N ' ' HG2' ' A' ' 69' ' ' GLU . 2.8 mm? -71.38 -45.95 61.56 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.544 1.153 . . . . 0.0 109.348 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.18 75.92 10.14 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.468 1.105 . . . . 0.0 109.921 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -118.37 -50.82 2.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.343 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -99.2 -20.17 16.75 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 110.417 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -86.04 40.43 0.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 111.065 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.599 HD13 ' CE2' ' A' ' 30' ' ' TYR . 1.4 mm -110.6 154.26 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 109.301 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.552 ' CD1' HG13 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -122.88 -42.34 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.583 1.177 . . . . 0.0 109.253 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.47 ' HA3' ' CG2' ' A' ' 4' ' ' VAL . . . 150.63 -114.51 0.65 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.498 1.124 . . . . 0.0 111.035 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -164.08 119.67 1.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.772 . . . . 0.0 110.274 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.509 ' HA ' ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -58.95 162.97 3.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.57 1.169 . . . . 0.0 109.299 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.597 ' CE1' ' HB2' ' A' ' 82' ' ' ASP . 4.7 t-80 -40.15 143.42 0.62 Allowed Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.557 1.16 . . . . 0.0 109.629 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.54 ' HD2' ' CG ' ' A' ' 80' ' ' HIS . 18.2 Cg_endo -75.05 -35.47 3.08 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.601 1.843 . . . . 0.0 111.015 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.597 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 1.1 m-20 -70.56 -38.95 74.21 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -76.62 -20.57 56.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.263 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.491 ' HG3' ' CD2' ' A' ' 27' ' ' HIS . 0.0 OUTLIER -72.13 -31.55 66.1 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.116 . . . . 0.0 110.327 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.11 -5.06 55.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.157 . . . . 0.0 109.987 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.4 -37.07 44.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.595 1.184 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.422 ' O ' ' C ' ' A' ' 88' ' ' ALA . 20.7 mt -69.21 -15.17 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 87' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.253 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.443 HG12 ' N ' ' A' ' 5' ' ' LYS . 2.2 t . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.608 ' O ' ' CZ ' ' A' ' 7' ' ' TYR . 0.1 OUTLIER -105.36 136.26 45.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -87.11 93.25 9.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.971 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.608 ' CZ ' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -103.62 129.89 50.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 110.998 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.404 ' C ' ' N ' ' A' ' 10' ' ' GLU . 69.1 p -77.29 158.98 29.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.421 1.075 . . . . 0.0 110.371 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.489 ' CD1' HD22 ' A' ' 79' ' ' LEU . 2.2 mp -41.0 -32.53 0.24 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.514 1.134 . . . . 0.0 109.36 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.404 ' N ' ' C ' ' A' ' 8' ' ' THR . 2.8 tt0 -47.29 -22.92 0.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.567 ' O ' ' CD2' ' A' ' 15' ' ' HIS . 9.7 mm-40 -97.29 -56.03 2.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 110.296 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.7 mp -54.06 -38.53 38.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 56.3 mm-40 -58.36 -44.28 88.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.282 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.3 -9.39 58.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.077 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.797 ' CD2' ' CH2' ' A' ' 22' ' ' TRP . 90.5 m-70 -97.51 36.27 1.52 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.619 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.29 44.73 1.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.289 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -118.71 169.96 9.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.95 63.46 6.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 110.012 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -170.22 -41.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.614 1.196 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.46 ' O ' ' O ' ' A' ' 15' ' ' HIS . 0.3 OUTLIER -135.04 68.91 1.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.989 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.499 ' CG2' ' HB2' ' A' ' 50' ' ' ALA . 1.3 m -102.24 116.73 33.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 110.431 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.797 ' CH2' ' CD2' ' A' ' 15' ' ' HIS . 6.8 m0 -108.18 -173.8 2.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 108.063 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.443 ' CG1' ' O ' ' A' ' 22' ' ' TRP . 2.9 m -160.13 107.36 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.516 ' CD1' ' HG ' ' A' ' 79' ' ' LEU . 1.1 tt -65.16 130.49 30.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.346 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.59 HD12 ' CE1' ' A' ' 30' ' ' TYR . 4.0 pp -151.35 118.01 5.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 67.92 35.81 3.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 0.0 109.614 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.559 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 3.1 t-80 68.06 6.82 5.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.584 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.41 ' HD3' ' N ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -120.13 112.93 19.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 109.328 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.562 HG13 ' CD1' ' A' ' 76' ' ' ILE . 6.2 p -83.83 139.48 17.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.59 ' CE1' HD12 ' A' ' 25' ' ' LEU . 4.9 m-85 -118.69 141.58 48.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.555 1.159 . . . . 0.0 110.982 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.552 ' N ' ' CG2' ' A' ' 76' ' ' ILE . 3.2 t0 -99.04 87.55 3.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.255 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.495 HD21 ' C ' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -102.88 32.65 3.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.103 . . . . 0.0 109.248 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.496 HG22 ' N ' ' A' ' 21' ' ' THR . 1.2 p -75.75 -19.21 59.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.404 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.02 -51.69 5.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.614 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -83.07 7.49 15.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 111.014 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.93 -40.34 72.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.06 -19.85 39.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 110.292 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -85.32 -6.04 59.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.56 1.162 . . . . 0.0 110.284 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.601 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 26.1 t-80 -85.32 130.26 52.36 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.586 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.601 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.2 Cg_endo -75.01 0.29 9.09 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.513 1.796 . . . . 0.0 111.039 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.581 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -73.31 -80.26 0.45 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.472 1.108 . . . . 0.0 110.998 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.474 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.19 -168.43 35.05 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.427 ' O ' ' CG ' ' A' ' 43' ' ' GLU . 12.6 tt0 -121.83 -11.54 8.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 0.783 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.547 ' O ' ' CG ' ' A' ' 44' ' ' GLU . 5.2 tt0 -119.12 -2.41 10.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.474 ' CG1' ' HA3' ' A' ' 42' ' ' GLY . 0.2 OUTLIER -100.09 -29.09 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.328 179.923 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.431 HD22 ' ND1' ' A' ' 39' ' ' HIS . 1.7 mt -76.17 -34.5 59.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.482 ' HA ' ' CG2' ' A' ' 21' ' ' THR . 5.5 ptm180 -88.38 -24.67 23.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.413 1.071 . . . . 0.0 110.302 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -47.06 -23.79 0.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.21 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.406 ' N ' ' C ' ' A' ' 47' ' ' ARG . 93.9 mm-40 -121.64 33.92 5.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 110.349 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.499 ' HB2' ' CG2' ' A' ' 21' ' ' THR . . . -88.92 49.46 1.79 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 109.336 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.44 -32.78 0.02 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.571 1.169 . . . . 0.0 111.063 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.497 ' O ' ' CG2' ' A' ' 24' ' ' ILE . . . -108.02 -137.7 8.34 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.42 ' HA ' HG21 ' A' ' 24' ' ' ILE . 6.6 p-10 -109.71 119.36 39.15 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 0.761 . . . . 0.0 109.276 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -95.91 -17.46 21.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.501 ' HA ' ' HB3' ' A' ' 58' ' ' PHE . 0.5 OUTLIER -49.65 -35.93 23.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.405 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.63 -47.82 82.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.312 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -78.46 -35.49 46.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.113 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.569 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 0.7 OUTLIER -65.89 -39.52 90.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 111.038 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.414 ' CD ' ' C ' ' A' ' 59' ' ' GLU . 1.8 pp20? -80.3 -19.98 45.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 110.374 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.17 -56.17 16.66 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.484 1.115 . . . . 0.0 109.353 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -59.99 -19.58 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.09 . . . . 0.0 109.313 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.95 78.23 0.3 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.461 1.101 . . . . 0.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.465 ' ND1' ' O ' ' A' ' 58' ' ' PHE . 53.8 m80 -71.44 140.08 49.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 0.771 . . . . 0.0 109.551 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.415 ' O ' ' HB ' ' A' ' 67' ' ' VAL . 0.4 OUTLIER -62.35 159.19 15.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.117 . . . . 0.0 109.966 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 52.0 m -68.57 -7.14 29.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.346 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.413 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 27.5 m-20 -93.39 7.77 43.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.422 1.076 . . . . 0.0 109.233 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.415 ' HB ' ' O ' ' A' ' 64' ' ' SER . 0.4 OUTLIER -89.16 -33.63 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.42 -35.19 67.55 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.438 1.086 . . . . 0.0 110.307 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 66' ' ' ASP . 6.2 pt-20 -82.17 -26.99 32.93 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.105 . . . . 0.0 110.257 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.401 ' CD2' ' O ' ' A' ' 66' ' ' ASP . 0.9 OUTLIER -52.67 -70.99 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 109.246 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 57.5 p -72.91 59.22 0.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.995 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.37 -45.6 11.74 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.589 1.18 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.7 m -93.69 -10.69 33.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.36 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 18.3 m-30 -90.88 18.26 6.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 111.032 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.583 HD12 ' CD2' ' A' ' 30' ' ' TYR . 1.5 mm -88.48 151.31 3.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.562 ' CD1' HG13 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -118.66 -43.61 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.339 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 149.59 -116.6 0.8 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.489 1.118 . . . . 0.0 110.961 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -165.43 119.64 1.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 0.777 . . . . 0.0 110.25 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.542 ' HB2' ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -50.06 159.06 0.46 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.526 ' N ' HD21 ' A' ' 79' ' ' LEU . 3.4 t-80 -34.93 140.26 0.3 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.465 1.103 . . . . 0.0 109.562 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.406 ' HD2' ' CG ' ' A' ' 80' ' ' HIS . 18.2 Cg_endo -75.08 -24.01 13.1 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.427 1.751 . . . . 0.0 110.925 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.441 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 0.9 OUTLIER -76.9 -40.48 47.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.095 . . . . 0.0 109.3 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.433 ' HB2' ' CD2' ' A' ' 79' ' ' LEU . 1.2 m-20 -75.2 -26.11 58.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.75 -32.87 74.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.288 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.412 ' O ' ' HB2' ' A' ' 88' ' ' ALA . 10.7 t -84.64 -11.15 56.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.17 . . . . 0.0 110.031 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 6.5 mttp -74.73 -35.28 62.67 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.466 ' O ' ' C ' ' A' ' 88' ' ' ALA . 9.3 mt -62.17 -14.66 12.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.466 ' C ' ' O ' ' A' ' 87' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.358 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.464 ' CG2' ' HA3' ' A' ' 77' ' ' GLY . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.635 ' O ' ' CE2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -87.8 131.16 34.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.295 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -86.6 86.91 7.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 111.029 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.635 ' CE2' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -94.78 129.81 41.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.978 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.438 ' C ' ' N ' ' A' ' 10' ' ' GLU . 39.7 p -75.57 156.33 35.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.411 1.07 . . . . 0.0 110.443 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.575 ' CD1' ' OD1' ' A' ' 83' ' ' ASP . 0.2 OUTLIER -43.4 -26.24 0.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.432 1.082 . . . . 0.0 109.278 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.438 ' N ' ' C ' ' A' ' 8' ' ' THR . 3.8 tt0 -47.09 -29.76 2.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.634 ' O ' ' CD2' ' A' ' 15' ' ' HIS . 14.1 mm-40 -96.34 -53.95 3.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.274 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.3 mp -53.48 -39.12 35.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -68.36 -36.51 79.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 110.273 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -75.04 -9.57 58.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.808 ' CD2' ' CH2' ' A' ' 22' ' ' TRP . 93.4 m-70 -100.92 55.23 0.85 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.587 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -110.09 54.98 0.65 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -138.24 151.63 47.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 48.8 p -51.96 -31.65 30.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.002 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.9 ptmt -71.1 -38.61 72.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.603 1.189 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.2 102.52 4.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.569 1.168 . . . . 0.0 109.967 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.458 ' CG2' ' HB2' ' A' ' 50' ' ' ALA . 2.3 m -139.99 117.67 11.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.414 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.808 ' CH2' ' CD2' ' A' ' 15' ' ' HIS . 0.8 OUTLIER -124.68 178.48 5.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 107.909 -179.933 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.426 ' HB ' ' CB ' ' A' ' 54' ' ' ALA . 6.2 m -153.64 111.02 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.614 1.196 . . . . 0.0 109.267 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.435 ' HA ' ' HA ' ' A' ' 29' ' ' VAL . 1.4 pp -63.38 102.89 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.454 ' O ' ' O ' ' A' ' 28' ' ' LYS . 2.8 pp -133.19 132.36 41.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.474 1.109 . . . . 0.0 109.407 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.602 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 0.1 OUTLIER 70.09 29.51 3.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.585 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.602 ' CD2' ' O ' ' A' ' 26' ' ' HIS . 0.0 OUTLIER 70.19 6.14 5.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.586 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.539 ' HD2' ' CD2' ' A' ' 27' ' ' HIS . 0.1 OUTLIER -134.34 122.86 23.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.532 HG13 ' CD1' ' A' ' 76' ' ' ILE . 2.5 p -80.3 144.68 10.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.091 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.553 ' CG ' HD12 ' A' ' 75' ' ' ILE . 4.7 m-85 -119.41 133.81 55.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.949 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.467 ' CB ' HG23 ' A' ' 76' ' ' ILE . 8.3 t0 -91.97 80.34 5.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.339 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.408 ' N ' HD21 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -88.93 14.81 9.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.479 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 0.5 OUTLIER -64.71 -16.26 62.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.34 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -90.14 -51.6 5.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.113 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.62 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -87.42 11.62 14.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 111.042 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.479 ' CD1' ' HA ' ' A' ' 33' ' ' THR . 0.1 OUTLIER -61.88 -33.06 73.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -84.66 -20.74 30.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -85.21 -25.96 27.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 110.258 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.593 ' HB2' ' CZ ' ' A' ' 35' ' ' PHE . 38.1 t-80 -64.04 133.39 95.58 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.582 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.574 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.3 Cg_endo -74.96 -14.51 21.22 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.45 1.763 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.58 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -58.14 -78.75 0.12 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.454 1.096 . . . . 0.0 110.988 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.477 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.05 -163.78 28.03 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.436 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 13.5 tt0 -121.17 -15.07 8.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 0.762 . . . . 0.0 110.275 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.523 ' HA ' ' CG ' ' A' ' 47' ' ' ARG . 3.3 pm0 -115.51 -27.55 7.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 110.247 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.477 ' CG1' ' HA3' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -71.2 -30.7 41.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.426 HD22 ' ND1' ' A' ' 39' ' ' HIS . 3.8 mt -73.12 -44.01 60.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.523 ' CG ' ' HA ' ' A' ' 44' ' ' GLU . 7.8 ptm180 -82.32 -21.34 36.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.456 ' HB2' ' HA ' ' A' ' 45' ' ' VAL . 0.6 OUTLIER -45.0 -29.48 0.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.24 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -118.73 37.22 4.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.458 ' HB2' ' CG2' ' A' ' 21' ' ' THR . . . -99.1 68.54 1.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.17 -39.36 0.03 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.405 ' O ' ' CG1' ' A' ' 24' ' ' ILE . . . -117.85 -124.43 3.43 Favored Glycine 0 CA--C 1.531 1.061 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -109.88 115.87 30.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.573 0.808 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 58' ' ' PHE . . . -96.28 -15.37 21.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.47 ' O ' ' CG ' ' A' ' 59' ' ' GLU . 0.8 OUTLIER -49.71 -24.43 2.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.439 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -79.26 -40.81 29.62 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.517 1.136 . . . . 0.0 110.315 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -85.52 -28.21 25.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.689 ' CD1' ' CE1' ' A' ' 63' ' ' HIS . 9.8 t80 -73.16 -39.68 65.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.419 1.074 . . . . 0.0 110.971 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.47 ' CG ' ' O ' ' A' ' 55' ' ' THR . 2.4 pp20? -79.41 -15.64 57.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.337 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -54.01 -51.79 62.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.264 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.596 HG12 ' CE1' ' A' ' 63' ' ' HIS . 0.6 OUTLIER -69.0 -16.18 20.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.14 79.29 0.23 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.453 1.096 . . . . 0.0 110.929 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.689 ' CE1' ' CD1' ' A' ' 58' ' ' PHE . 64.7 m80 -74.74 140.08 43.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 0.755 . . . . 0.0 109.535 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.407 ' O ' ' HB ' ' A' ' 67' ' ' VAL . 3.7 m -71.83 170.11 14.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.017 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.5 t -65.19 -8.31 16.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.589 1.181 . . . . 0.0 110.438 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.4 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 69.2 m-20 -77.64 -13.23 59.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.446 HG23 ' CD2' ' A' ' 63' ' ' HIS . 0.8 OUTLIER -74.22 -37.37 45.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.561 1.163 . . . . 0.0 109.3 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.9 ttp85 -64.34 -28.62 69.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 66' ' ' ASP . 11.4 pt-20 -97.56 14.28 27.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.33 -66.43 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.252 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.35 84.66 7.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.962 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.92 -56.02 3.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.9 m -85.36 -28.4 25.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 110.352 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.424 ' O ' ' C ' ' A' ' 75' ' ' ILE . 22.3 m-30 -62.45 -38.39 89.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.553 HD12 ' CG ' ' A' ' 30' ' ' TYR . 1.0 OUTLIER -37.84 140.23 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.532 ' CD1' HG13 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -102.93 -47.73 10.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.241 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.464 ' HA3' ' CG2' ' A' ' 4' ' ' VAL . . . 159.31 -111.46 0.48 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.493 1.12 . . . . 0.0 111.005 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -169.11 119.4 0.71 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 0.769 . . . . 0.0 110.297 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.567 ' HB2' ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -59.69 158.59 9.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 109.264 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.486 ' N ' HD21 ' A' ' 79' ' ' LEU . 4.8 t-80 -37.03 141.77 0.39 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.616 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.586 ' O ' ' HG3' ' A' ' 84' ' ' ARG . 18.2 Cg_endo -74.9 -26.8 10.79 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.502 1.791 . . . . 0.0 110.98 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.453 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 0.6 OUTLIER -80.68 -18.84 46.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.344 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.575 ' OD1' ' CD1' ' A' ' 9' ' ' LEU . 1.8 m-20 -86.53 -43.5 12.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.356 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.586 ' HG3' ' O ' ' A' ' 81' ' ' PRO . 0.2 OUTLIER -59.66 -28.52 67.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.291 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.439 ' N ' ' HD3' ' A' ' 84' ' ' ARG . 46.8 t -86.51 -11.65 51.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 110.021 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -79.72 -31.68 41.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.415 ' O ' ' CG2' ' A' ' 87' ' ' ILE . 5.5 mm -70.66 -5.86 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.98 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.435 HG12 ' N ' ' A' ' 5' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.617 ' O ' ' CE1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -84.83 141.1 30.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.416 1.073 . . . . 0.0 109.246 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -94.89 92.76 7.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.972 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.617 ' CE1' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -96.95 129.97 44.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.47 ' O ' ' C ' ' A' ' 9' ' ' LEU . 34.4 p -79.72 156.05 27.71 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.539 1.15 . . . . 0.0 110.379 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.528 ' N ' HD11 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -35.13 -36.93 0.06 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.488 1.117 . . . . 0.0 109.35 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 8' ' ' THR . 2.5 tt0 -38.9 -29.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.4 1.062 . . . . 0.0 110.311 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 9' ' ' LEU . 9.8 mm-40 -99.57 -49.7 4.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 110.267 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.436 ' N ' HD11 ' A' ' 12' ' ' ILE . 1.3 mp -54.23 -38.02 37.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -76.06 -25.93 56.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.403 1.064 . . . . 0.0 110.349 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.1 -10.5 59.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.133 . . . . 0.0 109.349 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.68 ' ND1' ' CZ2' ' A' ' 22' ' ' TRP . 13.3 m-70 -113.0 58.68 0.65 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.631 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -110.06 62.07 0.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -158.64 161.86 37.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.254 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 91.5 p -52.07 -47.43 65.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.396 1.06 . . . . 0.0 109.939 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.0 -63.62 0.89 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.254 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.5 104.45 7.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.954 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.422 ' HA ' ' O ' ' A' ' 15' ' ' HIS . 0.6 OUTLIER -136.52 124.65 23.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.367 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.68 ' CZ2' ' ND1' ' A' ' 15' ' ' HIS . 0.8 OUTLIER -124.54 178.54 5.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 108.01 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.8 m -154.56 110.64 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.085 . . . . 0.0 109.322 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.434 ' HA ' ' HA ' ' A' ' 29' ' ' VAL . 1.1 pp -60.83 130.67 25.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.53 1.144 . . . . 0.0 109.364 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.437 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 2.3 pp -165.7 130.15 2.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER 70.18 19.01 6.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.624 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 19.3 t60 69.84 36.99 1.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 109.562 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.624 ' O ' ' CD1' ' A' ' 30' ' ' TYR . 0.2 OUTLIER -164.06 94.57 0.75 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.446 1.091 . . . . 0.0 109.334 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.536 HG13 ' CD1' ' A' ' 76' ' ' ILE . 2.7 p -58.68 146.93 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.651 ' CZ ' ' CD1' ' A' ' 75' ' ' ILE . 19.9 m-85 -118.91 136.16 54.2 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.525 1.141 . . . . 0.0 111.063 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.486 ' CB ' HG23 ' A' ' 76' ' ' ILE . 6.3 t0 -91.6 78.55 5.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.436 ' N ' HD21 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -86.16 15.4 5.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.4 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 0.6 OUTLIER -64.02 -19.9 65.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 0.0 110.31 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.0 tptp -90.39 -54.93 3.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.602 ' CZ ' ' HB2' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -81.79 8.93 8.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 111.046 179.912 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.5 ' HG ' ' CD1' ' A' ' 46' ' ' LEU . 0.2 OUTLIER -51.4 -35.49 39.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -85.15 -22.74 28.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.236 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -83.29 -2.76 56.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.443 1.089 . . . . 0.0 110.246 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.63 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 30.0 t-80 -88.07 132.3 40.23 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.575 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.63 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.4 Cg_endo -75.0 -10.23 21.12 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.494 1.786 . . . . 0.0 111.015 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.6 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -65.33 -81.14 0.13 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.471 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.13 -163.96 28.37 Favored Glycine 0 CA--C 1.531 1.066 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -115.57 -17.36 11.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 0.803 . . . . 0.0 110.305 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.568 ' O ' ' N ' ' A' ' 48' ' ' GLU . 1.3 pm0 -109.6 -32.38 7.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.314 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.504 ' O ' ' HB3' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -56.85 -40.55 72.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.5 ' CD1' ' HG ' ' A' ' 36' ' ' LEU . 6.2 mt -64.89 -63.12 1.19 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.56 1.162 . . . . 0.0 109.223 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.52 ' CG ' ' HA ' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -61.85 -22.74 65.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.237 -179.933 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.568 ' N ' ' O ' ' A' ' 44' ' ' GLU . 1.2 tt0 -54.41 -32.92 58.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.286 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 67.0 mm-40 -114.46 18.69 16.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.36 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.473 ' CB ' ' HA ' ' A' ' 47' ' ' ARG . . . -86.87 68.98 10.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.16 -37.63 0.03 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.457 1.098 . . . . 0.0 111.017 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -121.55 -125.63 3.18 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.413 ' HA ' HG13 ' A' ' 24' ' ' ILE . 8.7 p-10 -109.86 118.2 35.85 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.498 0.764 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 58' ' ' PHE . . . -100.15 -14.04 18.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 109.345 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.506 ' HA ' ' HB3' ' A' ' 58' ' ' PHE . 0.7 OUTLIER -49.86 -35.56 23.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 110.36 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.11 -47.27 80.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -79.81 -30.9 40.63 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.429 1.081 . . . . 0.0 109.237 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.561 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 0.7 OUTLIER -70.44 -39.8 74.13 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.475 1.109 . . . . 0.0 110.981 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.426 ' CD ' ' C ' ' A' ' 59' ' ' GLU . 2.2 pp20? -78.03 -20.77 51.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -59.42 -55.42 34.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.446 1.091 . . . . 0.0 109.283 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.451 HG11 ' O ' ' A' ' 58' ' ' PHE . 0.9 OUTLIER -62.76 -19.54 23.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 69.42 78.61 0.34 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.505 1.128 . . . . 0.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.468 ' ND1' ' O ' ' A' ' 58' ' ' PHE . 56.0 m80 -71.02 140.16 50.71 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.464 0.743 . . . . 0.0 109.592 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 21.6 m -62.71 167.74 4.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.578 1.174 . . . . 0.0 109.973 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.1 t -75.67 -9.77 58.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.412 1.07 . . . . 0.0 110.403 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -88.14 -1.33 57.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.1 t -82.65 -38.92 15.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.22 -19.48 65.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.327 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -98.78 -24.29 15.07 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.458 1.099 . . . . 0.0 110.351 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.12 -66.6 0.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 39.1 m -79.1 69.85 5.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.959 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.5 mtpt -86.06 -48.79 8.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.7 m -84.45 -32.15 24.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 110.377 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.44 ' O ' ' C ' ' A' ' 75' ' ' ILE . 17.3 m-85 -60.63 -39.53 88.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 111.019 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.651 ' CD1' ' CZ ' ' A' ' 30' ' ' TYR . 0.8 OUTLIER -35.78 139.87 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.337 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.576 HD11 ' CE3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -102.58 -44.28 9.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.408 ' O ' ' HB2' ' A' ' 28' ' ' LYS . . . 157.14 -110.77 0.46 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.49 1.119 . . . . 0.0 110.956 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -170.16 119.48 0.6 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.42 0.718 . . . . 0.0 110.31 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.522 ' HB2' ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -59.08 157.66 9.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.353 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.522 ' N ' HD21 ' A' ' 79' ' ' LEU . 4.4 t-80 -36.45 139.09 0.46 Allowed Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.502 1.126 . . . . 0.0 109.625 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -29.64 8.0 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.493 1.786 . . . . 0.0 110.984 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.427 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 0.4 OUTLIER -74.48 -31.88 62.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.436 ' OD2' HD13 ' A' ' 9' ' ' LEU . 3.4 m-20 -86.74 -17.73 32.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.438 ' O ' ' HG2' ' A' ' 84' ' ' ARG . 0.0 OUTLIER -69.81 -30.26 67.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.366 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.1 t -90.49 -11.45 40.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.977 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 28.1 mttp -84.34 -28.83 26.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 45.9 mt -61.27 -13.85 9.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 -179.986 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.631 ' O ' ' CZ ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -93.7 122.62 36.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.535 ' HB3' ' CD2' ' A' ' 80' ' ' HIS . 64.0 m-85 -85.63 98.79 10.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.969 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.631 ' CZ ' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -104.89 128.74 53.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.411 1.069 . . . . 0.0 111.019 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 44.0 p -76.34 165.33 25.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.409 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.408 ' H ' ' CD1' ' A' ' 9' ' ' LEU . 6.8 mp -42.31 -32.86 0.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.32 -21.86 1.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.429 ' O ' ' CD2' ' A' ' 15' ' ' HIS . 19.5 mm-40 -98.41 -56.32 2.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.103 . . . . 0.0 110.302 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.498 ' CD1' ' HB2' ' A' ' 79' ' ' LEU . 2.7 mp -55.45 -35.64 38.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 109.286 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.411 ' OE1' ' CA ' ' A' ' 51' ' ' GLY . 11.0 mm100 -55.51 -37.02 67.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.137 . . . . 0.0 110.386 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -75.04 -15.06 60.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.804 ' CD2' ' CH2' ' A' ' 22' ' ' TRP . 84.2 m-70 -104.26 49.18 0.82 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 109.563 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.16 49.84 0.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -148.9 166.53 28.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.7 p -52.53 -46.64 66.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.032 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -43.86 -57.61 3.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.416 1.073 . . . . 0.0 109.25 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 15' ' ' HIS . 0.1 OUTLIER -139.47 102.69 4.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.09 . . . . 0.0 110.041 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -125.35 121.28 33.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 110.43 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.804 ' CH2' ' CD2' ' A' ' 15' ' ' HIS . 2.1 m0 -122.23 179.54 4.52 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.457 ' CG1' ' O ' ' A' ' 22' ' ' TRP . 30.7 m -156.63 107.2 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.407 1.067 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.501 ' O ' ' CG2' ' A' ' 24' ' ' ILE . 0.2 OUTLIER -63.79 107.54 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.598 HD12 ' CE1' ' A' ' 30' ' ' TYR . 4.3 pp -131.59 140.89 49.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.158 . . . . 0.0 109.203 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 53.78 35.33 21.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.586 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 19.4 m-70 66.66 10.48 7.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.615 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.435 ' O ' ' O ' ' A' ' 25' ' ' LEU . 24.2 mtpt -131.48 116.49 17.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.544 HG13 ' CD1' ' A' ' 76' ' ' ILE . 4.1 p -82.32 141.44 15.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.412 1.07 . . . . 0.0 109.259 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.598 ' CE1' HD12 ' A' ' 25' ' ' LEU . 4.2 m-85 -119.6 137.62 53.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.467 ' N ' ' CG2' ' A' ' 76' ' ' ILE . 9.0 t70 -92.47 81.03 4.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.358 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.403 HD22 ' O ' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -86.13 20.08 2.44 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.3 -22.64 63.78 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 0.0 110.336 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.9 tptt -89.93 -51.65 5.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.632 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -83.14 10.09 9.02 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.433 1.083 . . . . 0.0 111.044 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.505 ' HG ' ' CD1' ' A' ' 46' ' ' LEU . 0.2 OUTLIER -54.84 -43.68 73.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.137 . . . . 0.0 109.305 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.84 -23.2 49.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.3 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -81.74 -5.49 58.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 110.27 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.618 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 24.4 t-80 -88.02 130.84 44.88 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 109.512 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.618 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.2 Cg_endo -75.06 -7.14 18.84 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.499 1.789 . . . . 0.0 111.015 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.578 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -66.06 -82.71 0.11 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.45 1.094 . . . . 0.0 111.007 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.509 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.21 -164.41 29.15 Favored Glycine 0 CA--C 1.529 0.952 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.45 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 20.2 tt0 -119.71 -21.29 7.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 0.785 . . . . 0.0 110.26 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -109.94 6.65 23.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.258 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.509 ' CG1' ' HA3' ' A' ' 42' ' ' GLY . 0.2 OUTLIER -100.24 -44.05 11.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.345 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.505 ' CD1' ' HG ' ' A' ' 36' ' ' LEU . 6.5 mt -60.73 -57.22 13.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.1 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.45 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 0.4 OUTLIER -64.6 -27.31 68.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.394 1.059 . . . . 0.0 110.314 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -45.29 -29.5 1.03 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.127 . . . . 0.0 110.336 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -120.22 30.22 7.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 110.36 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.403 ' HA ' ' O ' ' A' ' 22' ' ' TRP . . . -86.98 59.99 5.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.166 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.411 ' CA ' ' OE1' ' A' ' 13' ' ' GLN . . . -169.85 -37.14 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.485 1.116 . . . . 0.0 110.924 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -110.48 -137.68 7.63 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -109.69 116.06 31.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 0.77 . . . . 0.0 109.346 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.58 -15.12 31.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.434 ' O ' ' CG ' ' A' ' 59' ' ' GLU . 0.5 OUTLIER -49.72 -27.4 4.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.43 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.57 -43.33 63.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -82.79 -32.35 27.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.531 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 1.6 t80 -69.07 -39.77 78.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 111.002 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.434 ' CG ' ' O ' ' A' ' 55' ' ' THR . 1.9 pp20? -78.57 -19.38 52.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.083 . . . . 0.0 110.303 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -64.79 -55.68 18.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.442 HG12 ' CE1' ' A' ' 63' ' ' HIS . 0.9 OUTLIER -61.69 -20.19 22.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.254 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.04 80.65 0.18 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.484 1.115 . . . . 0.0 110.931 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.442 ' CE1' HG12 ' A' ' 61' ' ' VAL . 70.2 m80 -70.3 135.18 48.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 0.77 . . . . 0.0 109.573 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.411 ' O ' ' HB ' ' A' ' 67' ' ' VAL . 0.2 OUTLIER -54.58 170.27 0.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.005 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.8 m -70.74 -25.86 63.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.334 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.33 -9.9 57.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.354 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.433 ' CG2' ' HB3' ' A' ' 63' ' ' HIS . 0.3 OUTLIER -70.58 -30.67 43.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -62.89 -36.0 81.87 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.527 1.142 . . . . 0.0 110.236 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -99.09 29.17 4.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 110.32 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.24 -66.87 0.87 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.339 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 15.0 m -85.75 66.73 9.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.002 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.29 -51.58 11.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.9 m -87.45 -42.95 12.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 110.368 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.503 ' CE2' ' CB ' ' A' ' 35' ' ' PHE . 21.0 m-30 -44.69 -36.79 3.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 111.012 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.577 HD12 ' CG ' ' A' ' 30' ' ' TYR . 1.1 mm -39.2 140.94 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.607 1.192 . . . . 0.0 109.254 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.567 HD12 ' CE1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -105.87 -45.38 8.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 151.16 -119.87 1.04 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.514 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 1.6 pt-20 -147.64 121.22 9.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 0.794 . . . . 0.0 110.363 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.624 ' O ' ' HB2' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -42.88 -46.37 5.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 109.32 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.624 ' HB2' ' O ' ' A' ' 79' ' ' LEU . 4.8 t-80 172.32 145.38 0.16 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.61 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.555 ' HD2' ' CG ' ' A' ' 80' ' ' HIS . 18.3 Cg_endo -75.05 -28.29 9.21 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.492 1.785 . . . . 0.0 110.971 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.09 -61.55 1.95 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.43 ' HB2' ' HB3' ' A' ' 80' ' ' HIS . 1.0 OUTLIER -59.87 -18.26 43.02 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.567 1.167 . . . . 0.0 109.3 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.507 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -63.85 -33.7 76.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 0.0 110.259 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' SER . . . . . 0.475 ' N ' ' HD3' ' A' ' 84' ' ' ARG . 28.4 t -92.44 -9.98 39.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 110.031 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -73.94 -43.27 58.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.574 1.171 . . . . 0.0 109.29 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.406 ' O ' ' C ' ' A' ' 88' ' ' ALA . 4.1 mm -67.17 -18.12 23.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 87' ' ' ILE . . . . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.097 . . . . 0.0 109.287 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.427 HG12 ' N ' ' A' ' 5' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.499 ' HB3' ' CE2' ' A' ' 7' ' ' TYR . 1.8 tttt -84.7 136.76 33.59 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.494 1.121 . . . . 0.0 109.254 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -94.19 93.83 8.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 110.975 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.566 ' CG ' ' OE2' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -102.35 129.97 48.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 110.965 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.476 ' CG2' ' HB2' ' A' ' 80' ' ' HIS . 35.8 p -80.66 162.35 24.23 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 1.091 . . . . 0.0 110.392 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.558 ' O ' ' CG ' ' A' ' 13' ' ' GLN . 1.0 OUTLIER -35.19 -43.01 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.342 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 9' ' ' LEU . 4.6 tt0 -37.3 -29.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.366 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.566 ' OE2' ' CG ' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -95.17 -53.45 3.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.341 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.468 ' CD1' ' HB3' ' A' ' 79' ' ' LEU . 28.1 mt -52.54 -34.49 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.326 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.558 ' CG ' ' O ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -81.96 -25.11 35.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.265 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.21 -13.19 60.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.471 ' ND1' ' CZ2' ' A' ' 22' ' ' TRP . 6.6 m170 -119.29 57.65 0.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.525 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.405 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 4.0 ttpp -109.76 66.54 0.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -160.08 153.51 22.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.436 ' O ' ' OG1' ' A' ' 33' ' ' THR . 0.3 OUTLIER -40.77 -54.48 2.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.1 . . . . 0.0 110.006 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 18' ' ' SER . 0.7 OUTLIER -39.62 -61.59 0.8 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.79 107.76 7.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 0.0 109.981 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.469 ' CG2' ' HB2' ' A' ' 50' ' ' ALA . 1.5 m -139.77 129.81 24.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.381 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.526 ' O ' ' CG1' ' A' ' 23' ' ' VAL . 0.3 OUTLIER -129.13 -173.41 2.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 108.018 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.526 ' CG1' ' O ' ' A' ' 22' ' ' TRP . 18.9 m -159.73 117.28 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.523 ' HA ' ' HA ' ' A' ' 29' ' ' VAL . 0.0 OUTLIER -74.6 112.49 11.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.414 1.072 . . . . 0.0 109.247 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.8 pp -126.69 119.37 26.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.084 . . . . 0.0 109.272 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 62.95 38.09 11.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.564 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.537 ' CG ' ' HG3' ' A' ' 84' ' ' ARG . 3.4 m-70 67.38 22.16 9.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.55 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.3 mmtt -135.68 108.39 7.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 109.285 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.53 HG13 ' CD1' ' A' ' 76' ' ' ILE . 4.1 p -84.55 141.35 14.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.577 ' CZ ' ' CD1' ' A' ' 75' ' ' ILE . 8.1 m-85 -124.91 132.26 53.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 111.023 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.44 ' HB2' ' CG2' ' A' ' 76' ' ' ILE . 5.3 t0 -90.23 82.04 6.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.343 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.464 ' N ' HD21 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -90.41 24.17 2.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.17 . . . . 0.0 109.321 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.436 ' OG1' ' O ' ' A' ' 18' ' ' SER . 1.2 t -69.64 -18.79 63.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.431 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.6 tptm -90.14 -54.58 3.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.269 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.591 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -81.37 10.1 6.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 0.0 111.002 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.502 ' HG ' ' CD1' ' A' ' 46' ' ' LEU . 0.2 OUTLIER -56.41 -41.8 76.92 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.44 1.087 . . . . 0.0 109.266 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.04 -28.27 54.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -81.52 -0.93 44.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.623 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 28.7 t-80 -89.65 132.16 37.68 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.668 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.623 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.2 Cg_endo -74.97 -18.39 18.85 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.489 1.784 . . . . 0.0 111.052 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.604 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -56.78 -81.9 0.06 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.462 1.101 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.18 -162.48 25.95 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.405 ' O ' ' CG ' ' A' ' 43' ' ' GLU . 10.3 tt0 -119.14 -13.44 9.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.775 . . . . 0.0 110.319 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.537 ' HA ' ' CG ' ' A' ' 47' ' ' ARG . 1.1 pm0 -113.05 -27.21 8.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.588 1.18 . . . . 0.0 110.309 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.416 ' O ' ' HB2' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -63.52 -45.18 98.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 109.333 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.594 HD22 ' CE1' ' A' ' 39' ' ' HIS . 4.3 mt -60.14 -59.26 5.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.342 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.537 ' CG ' ' HA ' ' A' ' 44' ' ' GLU . 7.2 ptm180 -64.16 -25.23 67.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.268 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 44' ' ' GLU . 0.7 OUTLIER -46.12 -30.01 1.75 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.285 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.42 ' CB ' ' HB2' ' A' ' 54' ' ' ALA . 30.5 mm-40 -116.21 31.21 6.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.312 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.469 ' HB2' ' CG2' ' A' ' 21' ' ' THR . . . -88.94 53.19 2.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.351 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.05 -34.51 0.02 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.499 ' O ' ' CG2' ' A' ' 24' ' ' ILE . . . -114.98 -133.04 5.39 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.405 ' HB2' HG21 ' A' ' 55' ' ' THR . 1.1 p-10 -109.67 121.41 45.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 0.782 . . . . 0.0 109.334 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.474 ' CB ' ' HB ' ' A' ' 23' ' ' VAL . . . -96.41 -16.34 21.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.432 ' HA ' ' HB3' ' A' ' 58' ' ' PHE . 0.5 OUTLIER -49.52 -29.96 7.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.365 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.14 -44.91 67.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.565 1.166 . . . . 0.0 110.29 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.403 ' O ' ' HB3' ' A' ' 60' ' ' ASP . 2.6 m120 -81.04 -32.19 34.2 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.545 ' CE1' ' HB2' ' A' ' 63' ' ' HIS . 1.5 t80 -69.87 -40.01 75.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 110.967 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.411 ' CG ' ' O ' ' A' ' 55' ' ' THR . 2.1 pp20? -78.2 -19.81 53.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.414 1.071 . . . . 0.0 110.276 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.403 ' HB3' ' O ' ' A' ' 57' ' ' ASN . 1.6 t70 -61.08 -53.78 52.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.367 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.437 HG12 ' CE1' ' A' ' 63' ' ' HIS . 0.7 OUTLIER -67.68 -16.22 20.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 65.51 80.88 0.14 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.492 1.12 . . . . 0.0 111.033 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.545 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 64.7 m80 -74.46 139.96 44.28 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 0.781 . . . . 0.0 109.588 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.405 ' O ' ' HB ' ' A' ' 67' ' ' VAL . 53.4 m -64.4 168.86 5.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.025 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.2 t -74.7 -11.26 60.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.427 1.079 . . . . 0.0 110.432 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -86.26 -2.43 58.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.336 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.405 ' HB ' ' O ' ' A' ' 64' ' ' SER . 1.2 t -84.04 -38.27 13.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -63.28 -26.87 68.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 110.346 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -91.44 -34.62 14.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.372 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -48.4 -56.91 6.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.254 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 80.0 p -81.65 72.46 8.69 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.48 1.113 . . . . 0.0 109.99 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.95 -51.92 5.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 109.247 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.3 m -80.59 -37.7 30.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.393 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -56.17 -34.8 66.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 111.019 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.577 ' CD1' ' CZ ' ' A' ' 30' ' ' TYR . 1.0 OUTLIER -42.61 140.65 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.53 ' CD1' HG13 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -104.67 -45.85 9.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.273 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 157.21 -111.0 0.47 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.453 1.095 . . . . 0.0 110.979 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -169.01 119.68 0.73 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.531 0.783 . . . . 0.0 110.257 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.57 HD22 ' N ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -53.21 159.16 1.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.269 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.57 ' N ' HD22 ' A' ' 79' ' ' LEU . 2.2 t-80 -35.26 141.27 0.29 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.414 1.071 . . . . 0.0 109.577 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.403 ' HD2' ' CG ' ' A' ' 80' ' ' HIS . 18.1 Cg_endo -75.0 -27.13 10.27 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.578 1.83 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -71.72 -48.15 49.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.402 ' HB2' ' CD2' ' A' ' 79' ' ' LEU . 1.1 m-20 -65.6 -29.86 70.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.102 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.537 ' HG3' ' CG ' ' A' ' 27' ' ' HIS . 0.0 OUTLIER -60.54 -38.2 83.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.281 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 29.3 t -72.7 -12.72 61.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.075 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -93.43 -21.43 19.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.335 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.424 HD13 ' CD2' ' A' ' 9' ' ' LEU . 20.2 mm -67.48 -7.41 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 109.232 -179.946 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.682 ' HG2' ' CE2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -93.51 136.25 33.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -79.8 104.49 10.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 111.046 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.682 ' CE2' ' HG2' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -106.92 129.79 54.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.957 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.468 ' O ' ' C ' ' A' ' 9' ' ' LEU . 39.2 p -82.17 156.9 24.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 110.449 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.478 ' CD1' HD23 ' A' ' 79' ' ' LEU . 1.6 mp -35.15 -38.17 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.425 1.078 . . . . 0.0 109.346 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 8' ' ' THR . 7.8 tt0 -39.03 -29.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 110.277 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.596 ' O ' ' CD2' ' A' ' 15' ' ' HIS . 4.5 mm-40 -95.23 -54.64 3.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.269 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.413 HD13 ' HB3' ' A' ' 79' ' ' LEU . 73.8 mt -49.93 -40.07 16.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.536 1.147 . . . . 0.0 109.267 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.42 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 7.9 mm-40 -59.37 -39.69 84.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 110.318 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.8 -5.84 40.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.561 1.163 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 11' ' ' GLU . 67.9 m-70 -114.67 48.0 1.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 0.0 109.563 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.23 65.37 0.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.4 ' O ' ' OG1' ' A' ' 21' ' ' THR . 1.3 t0 -159.8 153.49 22.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.337 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.414 ' O ' ' OG1' ' A' ' 33' ' ' THR . 66.7 p -42.09 -50.45 4.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.991 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.52 -61.17 1.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.43 ' O ' ' O ' ' A' ' 15' ' ' HIS . 0.2 OUTLIER -133.5 102.59 5.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.041 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.46 ' CG2' ' HB2' ' A' ' 50' ' ' ALA . 1.3 m -132.29 117.07 17.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 110.427 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.532 ' CH2' ' CD2' ' A' ' 15' ' ' HIS . 1.5 m0 -116.82 -173.81 2.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 108.039 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.47 ' HB ' ' CB ' ' A' ' 54' ' ' ALA . 3.2 m -160.04 111.06 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.241 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.522 ' CG2' ' O ' ' A' ' 52' ' ' GLY . 0.0 OUTLIER -66.14 111.69 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 109.368 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.555 ' O ' ' O ' ' A' ' 28' ' ' LYS . 0.6 OUTLIER -143.24 150.89 39.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.52 ' O ' ' CD ' ' A' ' 28' ' ' LYS . 15.3 m-70 52.98 29.41 7.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.644 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.635 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 0.4 OUTLIER 70.15 6.62 5.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.587 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.555 ' O ' ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -135.3 119.65 17.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.142 . . . . 0.0 109.311 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.527 HG13 ' CD1' ' A' ' 76' ' ' ILE . 2.7 p -79.55 144.27 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.573 ' CD2' HD12 ' A' ' 75' ' ' ILE . 4.3 m-85 -120.91 139.72 52.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 111.028 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.509 ' N ' ' CG2' ' A' ' 76' ' ' ILE . 7.3 t70 -96.06 79.94 3.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.137 . . . . 0.0 109.354 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.418 ' CD2' ' H ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -89.68 26.04 1.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.472 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 0.6 OUTLIER -72.05 -20.92 61.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.102 . . . . 0.0 110.431 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.77 -53.58 4.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.416 1.073 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.655 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -82.81 10.62 7.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 111.032 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.472 ' CD1' ' HA ' ' A' ' 33' ' ' THR . 0.2 OUTLIER -57.08 -39.14 74.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.83 -20.44 39.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.297 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -85.67 -2.28 58.03 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 110.318 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.604 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 26.5 t-80 -91.66 130.87 37.48 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.543 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.604 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.4 Cg_endo -74.91 -9.56 20.95 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.528 1.804 . . . . 0.0 111.017 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.598 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -61.06 -80.39 0.1 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.512 1.132 . . . . 0.0 111.015 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.469 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.1 -167.99 34.4 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.464 ' O ' ' CG ' ' A' ' 43' ' ' GLU . 11.3 tt0 -121.72 -9.64 8.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 0.743 . . . . 0.0 110.253 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.547 ' O ' ' CG ' ' A' ' 44' ' ' GLU . 4.2 tt0 -120.71 -2.41 9.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.209 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.469 ' CG1' ' HA3' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -99.83 -29.04 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.412 HD22 ' ND1' ' A' ' 39' ' ' HIS . 1.2 mt -77.1 -35.47 56.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 109.311 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.435 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 7.2 ptm180 -87.53 -22.71 24.7 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.131 . . . . 0.0 110.392 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -53.28 -30.13 36.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.314 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.436 ' CB ' ' HB1' ' A' ' 54' ' ' ALA . 37.3 mm-40 -100.95 9.88 41.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 110.373 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.46 ' HB2' ' CG2' ' A' ' 21' ' ' THR . . . -78.6 57.91 2.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.04 -36.85 0.03 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.461 1.101 . . . . 0.0 110.979 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.522 ' O ' ' CG2' ' A' ' 24' ' ' ILE . . . -122.7 -124.89 3.01 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.67 122.33 47.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 0.753 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.47 ' CB ' ' HB ' ' A' ' 23' ' ' VAL . . . -91.55 -18.86 23.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.413 1.07 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.499 ' HA ' ' HB3' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -49.46 -48.85 47.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.435 179.939 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -48.53 -29.04 3.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.507 ' O ' ' HB3' ' A' ' 60' ' ' ASP . 1.9 m-20 -100.01 -48.23 4.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.6 ' CD1' ' CE1' ' A' ' 63' ' ' HIS . 18.2 t80 -56.8 -39.47 74.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.143 . . . . 0.0 110.959 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.485 ' HB2' ' O ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -82.02 -23.85 35.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.273 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.507 ' HB3' ' O ' ' A' ' 57' ' ' ASN . 10.4 t70 -56.95 -58.38 8.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.574 HG12 ' CE1' ' A' ' 63' ' ' HIS . 0.4 OUTLIER -59.89 -17.18 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 65.87 79.06 0.2 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.493 1.121 . . . . 0.0 111.046 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.6 ' CE1' ' CD1' ' A' ' 58' ' ' PHE . 53.8 m80 -74.73 140.05 43.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.441 0.73 . . . . 0.0 109.698 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.51 164.05 10.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 0.0 109.977 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.3 t -73.72 -13.29 60.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.42 1.075 . . . . 0.0 110.407 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -87.2 0.57 55.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.4 ' O ' ' HB2' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -70.07 -21.99 24.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.423 1.077 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -63.39 -24.4 67.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.269 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -69.69 -30.44 68.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 67' ' ' VAL . 1.1 mm? -59.83 -72.6 0.1 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.407 1.067 . . . . 0.0 109.28 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 51.6 p -76.84 114.53 15.71 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.561 1.163 . . . . 0.0 109.923 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.95 -68.41 0.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.235 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.5 m -87.98 -23.11 23.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 110.391 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.414 ' O ' ' C ' ' A' ' 75' ' ' ILE . 18.5 m-85 -56.38 -37.28 69.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 111.008 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.573 HD12 ' CD2' ' A' ' 30' ' ' TYR . 0.8 OUTLIER -38.64 140.21 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.537 HD12 ' CE1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -99.53 -49.44 11.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.275 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.448 ' HA3' ' OH ' ' A' ' 7' ' ' TYR . . . 161.45 -111.15 0.47 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.507 1.129 . . . . 0.0 110.958 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -167.66 119.72 0.89 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 0.778 . . . . 0.0 110.269 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.537 HD22 ' N ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -59.99 157.63 12.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.328 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.537 ' N ' HD22 ' A' ' 79' ' ' LEU . 1.9 t-80 -35.99 136.97 0.49 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 0.0 109.638 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -19.55 17.84 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.548 1.815 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -79.46 -39.23 32.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.92 -27.68 54.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.6 -33.48 75.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.314 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.3 t -89.7 -3.44 58.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.975 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 33.1 mttt -88.84 -30.35 19.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.413 1.071 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 59.3 mt -65.19 -11.36 11.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.302 -180.0 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.441 HG12 ' N ' ' A' ' 5' ' ' LYS . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.238 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.528 ' O ' ' CE2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -92.69 135.04 34.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.256 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -89.73 94.63 9.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.142 . . . . 0.0 111.008 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.528 ' CE2' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -105.34 129.78 53.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.982 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.484 ' CG2' ' HB2' ' A' ' 80' ' ' HIS . 43.4 p -79.42 159.09 27.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.462 1.101 . . . . 0.0 110.393 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.497 ' CD1' HD21 ' A' ' 79' ' ' LEU . 2.4 mp -39.79 -33.85 0.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -46.12 -24.72 0.48 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.442 1.089 . . . . 0.0 110.308 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 14' ' ' LYS . 18.7 mm-40 -98.88 -57.52 2.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.345 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.8 mp -46.55 -39.73 4.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.146 . . . . 0.0 109.337 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.437 ' NE2' ' O ' ' A' ' 51' ' ' GLY . 57.2 mm-40 -55.09 -34.48 63.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 110.325 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 11' ' ' GLU . 0.6 OUTLIER -74.71 -7.55 53.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -179.902 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.593 ' CD2' ' CH2' ' A' ' 22' ' ' TRP . 90.3 m-70 -107.82 44.85 1.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.595 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.5 tttm -109.92 53.07 0.7 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.576 1.173 . . . . 0.0 109.293 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -149.88 169.71 20.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.582 1.176 . . . . 0.0 109.245 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.45 -53.86 53.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.933 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.22 -41.13 36.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 109.266 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.72 110.64 6.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.007 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.469 HG23 ' CD1' ' A' ' 36' ' ' LEU . 0.8 OUTLIER -141.05 116.82 10.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.43 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.593 ' CH2' ' CD2' ' A' ' 15' ' ' HIS . 14.0 m0 -117.53 -177.84 3.33 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.536 1.148 . . . . 0.0 108.041 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.472 ' CG2' HD22 ' A' ' 32' ' ' LEU . 2.9 m -160.18 102.83 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.265 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.527 ' CG2' ' O ' ' A' ' 52' ' ' GLY . 5.0 tt -62.01 116.27 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.231 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.57 HD12 ' CE1' ' A' ' 30' ' ' TYR . 4.3 pp -137.69 122.75 19.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.255 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.437 ' O ' ' HB3' ' A' ' 27' ' ' HIS . 67.9 m-70 63.67 36.7 10.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.575 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.516 ' CG ' ' HG3' ' A' ' 84' ' ' ARG . 3.4 t60 68.58 5.01 4.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.679 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.42 ' NZ ' ' OE1' ' A' ' 78' ' ' GLU . 3.6 mptp? -118.42 114.54 23.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.551 HG13 ' CD1' ' A' ' 76' ' ' ILE . 7.3 p -85.52 136.9 21.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.612 ' CZ ' HD13 ' A' ' 75' ' ' ILE . 4.0 m-85 -117.79 139.18 51.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 111.018 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.465 ' CB ' HG23 ' A' ' 76' ' ' ILE . 9.0 t0 -100.31 83.31 2.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.425 1.078 . . . . 0.0 109.255 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.517 HD23 ' CBB' ' A' ' 95' ' ' HEM . 0.1 OUTLIER -91.87 22.44 4.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.403 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 0.5 OUTLIER -67.17 -19.69 65.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.589 1.181 . . . . 0.0 110.381 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.01 -54.43 4.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.614 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -80.7 7.79 9.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.945 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.469 ' CD1' HG23 ' A' ' 21' ' ' THR . 0.2 OUTLIER -53.98 -41.89 68.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.253 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.36 -21.75 45.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.79 -2.43 56.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.423 1.077 . . . . 0.0 110.312 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.597 ' HB2' ' CZ ' ' A' ' 35' ' ' PHE . 23.3 t-80 -91.14 129.61 43.05 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.615 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.592 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.4 Cg_endo -74.9 -1.82 11.7 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.464 1.771 . . . . 0.0 110.979 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.578 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -70.07 -79.09 0.35 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.483 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -173.88 -169.57 36.27 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 12.5 tt0 -122.28 -13.97 7.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 0.787 . . . . 0.0 110.291 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -116.95 -2.64 11.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.632 1.208 . . . . 0.0 110.279 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.483 ' CG1' ' HA3' ' A' ' 42' ' ' GLY . 0.2 OUTLIER -100.22 -28.97 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.422 HD22 ' ND1' ' A' ' 39' ' ' HIS . 4.6 mt -74.81 -37.99 62.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 109.305 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.414 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 3.8 ptm180 -84.17 -25.75 29.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 110.293 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.94 -23.71 2.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.298 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 74.4 mm-40 -116.54 23.26 12.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 110.281 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.428 ' HA ' ' O ' ' A' ' 22' ' ' TRP . . . -85.51 58.08 4.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.437 ' O ' ' NE2' ' A' ' 13' ' ' GLN . . . -170.41 -36.77 0.03 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.526 1.141 . . . . 0.0 111.068 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.527 ' O ' ' CG2' ' A' ' 24' ' ' ILE . . . -110.75 -135.19 6.84 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.471 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -109.84 120.24 41.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.568 0.805 . . . . 0.0 109.319 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.41 ' CB ' ' HB ' ' A' ' 23' ' ' VAL . . . -93.82 -16.36 24.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.362 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.458 ' HA ' ' HB3' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -49.73 -32.09 12.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.389 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.89 -45.31 74.82 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.546 1.154 . . . . 0.0 110.279 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.466 ' HB3' ' CBC' ' A' ' 95' ' ' HEM . 7.5 m-20 -80.4 -34.02 36.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 109.274 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.572 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 0.9 OUTLIER -66.03 -39.78 90.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.963 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.404 ' CD ' ' C ' ' A' ' 59' ' ' GLU . 2.2 pp20? -79.73 -21.9 43.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.418 1.074 . . . . 0.0 110.296 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -61.91 -57.24 12.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.413 1.071 . . . . 0.0 109.317 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.413 HG21 ' C3D' ' A' ' 95' ' ' HEM . 0.7 OUTLIER -59.89 -18.21 14.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.571 1.169 . . . . 0.0 109.298 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 66.63 78.59 0.24 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.46 1.1 . . . . 0.0 110.981 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.461 ' ND1' ' O ' ' A' ' 58' ' ' PHE . 47.9 m80 -73.05 139.94 46.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 0.75 . . . . 0.0 109.542 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.8 158.45 0.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.019 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 40.0 p -73.43 -13.25 61.04 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.132 . . . . 0.0 110.44 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.421 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 6.2 m-20 -95.35 13.13 26.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.258 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -85.36 -25.88 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.409 ' CG ' ' N ' ' A' ' 69' ' ' GLU . 9.4 ptm180 -59.29 -41.99 90.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 66' ' ' ASP . 5.1 pt-20 -75.3 -21.23 58.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.426 1.079 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.32 -73.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.409 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 30.7 t -81.28 121.43 26.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.973 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.33 -58.13 0.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.8 m -72.98 -26.12 61.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 110.371 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.42 ' O ' ' C ' ' A' ' 75' ' ' ILE . 20.8 m-85 -71.75 -36.2 70.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 111.026 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.612 HD13 ' CZ ' ' A' ' 30' ' ' TYR . 0.5 OUTLIER -37.97 150.78 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.409 1.068 . . . . 0.0 109.3 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.559 HD11 ' CE3' ' A' ' 22' ' ' TRP . 0.1 OUTLIER -109.57 -45.45 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 154.88 -112.38 0.52 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.456 1.097 . . . . 0.0 111.023 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.42 ' OE1' ' NZ ' ' A' ' 28' ' ' LYS . 4.6 pt-20 -167.03 119.46 0.95 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 0.742 . . . . 0.0 110.293 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.507 HD23 ' N ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -52.64 160.14 0.94 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.507 ' N ' HD23 ' A' ' 79' ' ' LEU . 2.0 t-80 -37.82 139.38 0.6 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.553 1.158 . . . . 0.0 109.658 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -21.51 15.85 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.416 1.745 . . . . 0.0 111.037 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -78.12 -37.63 45.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 109.331 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.69 -27.63 40.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.516 ' HG3' ' CG ' ' A' ' 27' ' ' HIS . 0.0 OUTLIER -62.36 -35.31 78.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 110.223 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.0 m -83.99 -5.5 59.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 109.976 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.05 -27.94 22.87 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.527 1.142 . . . . 0.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.408 ' O ' ' CG2' ' A' ' 87' ' ' ILE . 7.6 mm -71.65 -5.6 6.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.429 1.081 . . . . 0.0 109.204 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.411 1.07 . . . . 0.0 109.304 -179.998 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' HEM . . . . . 1.544 HMA3 ' CMA' ' A' ' 95' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.1 t . . . . . 0 N--CA 1.452 -0.37 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.567 ' HB3' ' CE2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -88.27 134.91 33.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -90.19 91.48 8.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 110.984 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.573 ' CE1' HD12 ' A' ' 76' ' ' ILE . 0.1 OUTLIER -101.95 129.67 48.28 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.482 1.114 . . . . 0.0 110.993 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.501 ' CG2' ' HB2' ' A' ' 80' ' ' HIS . 42.4 p -78.89 161.44 26.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.462 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.466 ' CD1' HD23 ' A' ' 79' ' ' LEU . 3.8 mp -39.89 -30.34 0.08 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.448 ' N ' ' C ' ' A' ' 8' ' ' THR . 1.4 tt0 -47.52 -24.11 0.78 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.161 . . . . 0.0 110.311 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.498 ' O ' ' CD2' ' A' ' 15' ' ' HIS . 19.4 mm-40 -98.85 -56.95 2.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.212 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.8 mp -52.99 -32.21 18.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.41 1.069 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -59.55 -45.75 90.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 110.251 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.63 -4.55 34.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.787 ' CD2' ' CH2' ' A' ' 22' ' ' TRP . 95.0 m-70 -104.84 43.5 1.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.649 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.3 ttmt -109.83 54.49 0.66 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 18' ' ' SER . 0.3 OUTLIER -146.44 146.74 30.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 17' ' ' ASP . 18.5 p -38.22 -42.66 0.71 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 110.003 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.63 -70.78 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.407 ' O ' ' O ' ' A' ' 15' ' ' HIS . 0.2 OUTLIER -123.06 97.78 5.59 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.102 . . . . 0.0 110.001 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.466 ' CG2' ' HB2' ' A' ' 50' ' ' ALA . 3.2 m -122.0 122.34 39.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.41 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.787 ' CH2' ' CD2' ' A' ' 15' ' ' HIS . 1.6 m0 -122.8 -175.98 3.29 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.426 ' CG2' HD22 ' A' ' 32' ' ' LEU . 1.8 m -159.94 109.14 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.358 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.48 ' HA ' ' HA ' ' A' ' 29' ' ' VAL . 0.2 OUTLIER -64.94 120.44 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.335 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.584 HD12 ' CE1' ' A' ' 30' ' ' TYR . 4.3 pp -140.86 125.51 17.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 4.5 t60 59.15 42.16 19.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.543 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 61.87 19.68 10.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.578 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.1 mtpt -134.74 117.22 15.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.549 HG13 ' CD1' ' A' ' 76' ' ' ILE . 3.4 p -87.89 138.89 18.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.584 ' CE1' HD12 ' A' ' 25' ' ' LEU . 5.1 m-85 -120.54 131.98 54.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.47 ' CB ' HG23 ' A' ' 76' ' ' ILE . 11.6 t70 -92.59 83.44 4.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.242 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.506 HD23 ' CBB' ' A' ' 95' ' ' HEM . 0.1 OUTLIER -91.51 24.62 2.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.49 -22.0 62.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.382 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.1 -53.45 4.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.194 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.621 ' CZ ' ' HB2' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -79.69 5.83 12.32 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 110.96 -179.924 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.478 ' HG ' ' CD1' ' A' ' 46' ' ' LEU . 0.2 OUTLIER -52.12 -37.36 53.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.377 179.93 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.38 -23.77 37.44 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.474 1.109 . . . . 0.0 110.319 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.97 -2.94 56.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.307 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.621 ' HB2' ' CZ ' ' A' ' 35' ' ' PHE . 17.9 t-80 -89.31 128.23 52.11 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.565 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.594 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.3 Cg_endo -74.96 -6.19 17.76 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.447 1.762 . . . . 0.0 111.02 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.58 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -67.73 -81.84 0.17 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.455 1.097 . . . . 0.0 110.991 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.503 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.2 -165.23 30.45 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.444 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 18.9 tt0 -120.72 -22.01 6.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 0.756 . . . . 0.0 110.273 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -108.26 6.52 26.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.1 . . . . 0.0 110.33 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.503 ' CG1' ' HA3' ' A' ' 42' ' ' GLY . 0.2 OUTLIER -100.17 -45.16 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.52 HD22 ' CE1' ' A' ' 39' ' ' HIS . 7.8 mt -59.82 -58.58 7.96 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.104 . . . . 0.0 109.372 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.444 ' HA ' ' CG2' ' A' ' 21' ' ' THR . 2.5 ptm180 -63.4 -27.88 69.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.392 1.058 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.57 -25.81 1.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.264 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -120.23 24.28 10.5 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.458 1.099 . . . . 0.0 110.281 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.466 ' HB2' ' CG2' ' A' ' 21' ' ' THR . . . -84.06 60.95 6.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -169.96 -38.02 0.03 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.531 1.144 . . . . 0.0 110.994 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -111.78 -135.68 6.7 Favored Glycine 0 CA--C 1.531 1.055 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -109.78 117.41 33.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 0.768 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -89.7 -16.72 29.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.425 ' O ' ' CG ' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -49.53 -26.66 3.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.379 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.04 -41.78 61.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.421 1.076 . . . . 0.0 110.208 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.472 ' HB3' ' CBC' ' A' ' 95' ' ' HEM . 5.5 m-20 -84.61 -32.42 23.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.559 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 1.0 OUTLIER -67.72 -39.67 84.29 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.499 1.125 . . . . 0.0 111.008 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.425 ' CG ' ' O ' ' A' ' 55' ' ' THR . 2.3 pp20? -77.68 -22.31 50.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.26 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.28 -57.58 10.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.466 1.104 . . . . 0.0 109.216 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.477 HG12 ' CE1' ' A' ' 63' ' ' HIS . 0.6 OUTLIER -60.03 -18.1 15.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.1 79.07 0.23 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.513 1.133 . . . . 0.0 111.033 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.477 ' CE1' HG12 ' A' ' 61' ' ' VAL . 52.1 m80 -74.79 139.96 43.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 0.764 . . . . 0.0 109.583 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.0 t -48.18 154.07 0.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.005 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.1 t -73.61 -26.62 60.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 110.431 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -99.55 20.66 13.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 109.32 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.419 ' CG1' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -72.11 -44.29 65.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.269 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.419 ' N ' ' CG1' ' A' ' 67' ' ' VAL . 43.8 ttp180 -38.25 -38.98 0.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.423 1.077 . . . . 0.0 110.295 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -42.88 -27.73 0.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 110.217 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.415 ' N ' ' C ' ' A' ' 68' ' ' ARG . 1.6 mm? -68.68 -72.27 0.19 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 91.5 p -65.05 93.65 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.966 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.9 tptt -113.06 -71.58 0.75 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.456 1.097 . . . . 0.0 109.227 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.3 m -82.37 -22.2 35.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.362 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -62.62 -38.75 91.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.584 HD12 ' CG ' ' A' ' 30' ' ' TYR . 1.0 OUTLIER -39.38 139.94 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.573 HD12 ' CE1' ' A' ' 7' ' ' TYR . 0.1 OUTLIER -100.37 -44.75 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.377 179.915 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 155.44 -110.1 0.43 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.512 1.133 . . . . 0.0 110.936 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -170.04 119.68 0.61 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.446 0.733 . . . . 0.0 110.308 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.532 ' HB2' ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -52.42 160.73 0.78 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.253 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.507 ' N ' HD22 ' A' ' 79' ' ' LEU . 2.2 t-80 -34.02 138.53 0.3 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.623 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.475 ' HA ' ' CG ' ' A' ' 84' ' ' ARG . 18.4 Cg_endo -75.0 -22.1 15.16 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.547 1.814 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.408 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 0.4 OUTLIER -80.39 -23.68 40.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.511 ' CB ' ' CD2' ' A' ' 79' ' ' LEU . 0.3 OUTLIER -83.85 -45.19 13.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.516 ' HB3' ' CD1' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -59.55 -35.62 74.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.331 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.48 ' N ' ' CD ' ' A' ' 84' ' ' ARG . 0.4 OUTLIER -76.91 -15.01 59.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.566 1.166 . . . . 0.0 110.013 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.73 -14.89 27.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.169 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.443 ' O ' ' CG2' ' A' ' 87' ' ' ILE . 12.8 mm -74.44 -0.68 2.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.259 -179.932 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' HEM . . . . . 1.527 HMA3 ' CMA' ' A' ' 95' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.425 HG12 ' N ' ' A' ' 5' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.564 ' HB3' ' CE2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -86.42 138.86 31.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.427 ' CG ' ' HD3' ' A' ' 81' ' ' PRO . 10.2 m-85 -93.8 96.17 9.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 111.027 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.564 ' CE2' ' HB3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -105.85 129.71 53.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 111.037 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 10' ' ' GLU . 44.6 p -80.05 157.33 26.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.356 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 8' ' ' THR . 3.0 mp -37.16 -33.21 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 8' ' ' THR . 1.7 tt0 -44.55 -25.08 0.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.297 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.583 ' O ' ' CD2' ' A' ' 15' ' ' HIS . 24.8 mm-40 -96.87 -56.19 2.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.321 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.5 mt -50.46 -39.6 17.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 0.0 109.229 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.433 ' OE1' ' O ' ' A' ' 51' ' ' GLY . 28.1 mm100 -60.09 -40.96 91.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 110.355 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.67 -3.31 30.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.714 ' CD2' ' CH2' ' A' ' 22' ' ' TRP . 92.4 m-70 -109.91 46.28 1.03 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.597 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -110.07 49.44 0.84 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 18' ' ' SER . 5.2 m-20 -144.95 147.78 33.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 17' ' ' ASP . 22.4 p -37.9 -48.5 1.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.0 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.4 -60.92 2.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.418 ' O ' ' O ' ' A' ' 15' ' ' HIS . 0.3 OUTLIER -126.49 103.11 7.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.032 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.479 ' CG2' ' HB2' ' A' ' 50' ' ' ALA . 22.3 m -127.84 118.97 24.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 110.368 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.714 ' CH2' ' CD2' ' A' ' 15' ' ' HIS . 13.7 m0 -118.72 -179.14 3.71 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.461 ' CG1' ' O ' ' A' ' 22' ' ' TRP . 3.9 m -160.11 103.87 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.551 ' CG2' ' O ' ' A' ' 52' ' ' GLY . 0.9 OUTLIER -64.55 105.96 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.578 HD12 ' CE1' ' A' ' 30' ' ' TYR . 3.9 pp -128.02 124.96 38.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 67.48 34.8 4.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.574 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.462 ' O ' ' NH2' ' A' ' 84' ' ' ARG . 10.7 m-70 70.02 6.5 5.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.579 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.426 ' HG3' ' NH2' ' A' ' 84' ' ' ARG . 13.3 mttt -121.6 129.01 52.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.555 HG13 ' CD1' ' A' ' 76' ' ' ILE . 8.9 p -94.92 129.44 45.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.578 ' CE1' HD12 ' A' ' 25' ' ' LEU . 7.1 m-85 -117.63 127.31 53.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.466 ' HA ' ' CD1' ' A' ' 22' ' ' TRP . 11.4 t70 -80.02 93.19 5.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.466 HD22 ' CBB' ' A' ' 95' ' ' HEM . 1.0 OUTLIER -91.9 22.26 4.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.257 -179.922 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.462 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 0.5 OUTLIER -78.25 -21.65 49.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.135 . . . . 0.0 110.46 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -90.16 -54.51 3.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.662 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -81.72 9.92 7.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.976 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.486 ' CD2' ' HA ' ' A' ' 43' ' ' GLU . 0.2 OUTLIER -55.35 -46.61 76.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.402 1.064 . . . . 0.0 109.246 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.93 -24.1 60.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.55 -0.94 52.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.363 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.611 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 16.5 t-80 -95.05 128.2 39.9 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.554 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.611 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.3 Cg_endo -75.06 -4.6 15.62 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.518 1.799 . . . . 0.0 110.973 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.565 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -67.5 -81.32 0.18 Allowed Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.429 1.081 . . . . 0.0 110.974 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.491 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.14 -163.76 28.05 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.486 ' HA ' ' CD2' ' A' ' 36' ' ' LEU . 12.1 tt0 -121.19 -14.98 8.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 0.777 . . . . 0.0 110.3 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.494 ' HA ' ' CG ' ' A' ' 47' ' ' ARG . 0.8 OUTLIER -113.2 -20.05 11.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.29 179.925 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.491 ' CG1' ' HA3' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -70.51 -46.66 69.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.273 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.501 HD22 ' CE1' ' A' ' 39' ' ' HIS . 4.6 mt -57.85 -58.98 6.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.59 1.182 . . . . 0.0 109.274 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.494 ' CG ' ' HA ' ' A' ' 44' ' ' GLU . 0.3 OUTLIER -61.74 -28.15 69.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 110.329 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' A' ' 44' ' ' GLU . 0.7 OUTLIER -46.3 -27.8 1.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.318 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 70.1 mm-40 -123.07 22.71 9.46 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.479 ' HB2' ' CG2' ' A' ' 21' ' ' THR . . . -80.98 59.12 3.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.35 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.433 ' O ' ' OE1' ' A' ' 13' ' ' GLN . . . -170.0 -36.15 0.03 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.438 1.086 . . . . 0.0 111.037 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.551 ' O ' ' CG2' ' A' ' 24' ' ' ILE . . . -108.78 -133.02 6.76 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.451 ' O ' ' CG ' ' A' ' 56' ' ' GLU . 39.3 p-10 -109.88 117.68 34.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.415 0.715 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.28 -20.71 22.63 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.419 ' HA ' ' HB3' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -49.47 -27.36 4.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 110.408 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.451 ' CG ' ' O ' ' A' ' 53' ' ' ASP . 0.1 OUTLIER -73.18 -43.22 61.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.11 . . . . 0.0 110.355 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.476 ' HB3' ' CBC' ' A' ' 95' ' ' HEM . 5.5 m120 -83.32 -31.79 26.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.421 1.076 . . . . 0.0 109.265 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.554 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 0.7 OUTLIER -68.18 -39.57 82.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 111.073 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.401 ' CD ' ' C ' ' A' ' 59' ' ' GLU . 2.1 pp20? -78.65 -20.62 49.85 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.55 1.156 . . . . 0.0 110.292 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -62.9 -57.22 11.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.448 HG12 ' CE1' ' A' ' 63' ' ' HIS . 0.5 OUTLIER -59.91 -18.73 16.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.76 77.7 0.32 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.45 1.094 . . . . 0.0 111.014 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.462 ' ND1' ' O ' ' A' ' 58' ' ' PHE . 50.5 m80 -73.31 140.14 46.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 0.741 . . . . 0.0 109.575 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 78.3 p -44.29 161.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.012 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.8 t -78.85 -10.95 59.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.443 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -99.94 9.96 42.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 70' ' ' LEU . 0.6 OUTLIER -81.29 -41.85 19.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 45.3 ttt180 -50.78 -33.76 24.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.358 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -93.38 18.85 9.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.261 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 67' ' ' VAL . 0.2 OUTLIER -96.66 -55.93 2.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.231 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.83 92.95 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.027 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.41 ' O ' ' CG1' ' A' ' 75' ' ' ILE . 0.0 OUTLIER -124.41 -38.54 2.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.0 m -94.54 -25.5 16.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 110.337 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -100.03 39.93 1.29 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.578 HG21 ' CD2' ' A' ' 30' ' ' TYR . 2.0 pp -117.39 141.18 37.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.559 HD11 ' CE3' ' A' ' 22' ' ' TRP . 0.1 OUTLIER -102.31 -42.39 8.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 149.35 -116.4 0.79 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.503 1.127 . . . . 0.0 110.986 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.442 ' CB ' ' NH2' ' A' ' 84' ' ' ARG . 4.9 pt-20 -157.96 119.96 3.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.477 0.751 . . . . 0.0 110.334 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.496 HD22 ' N ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -46.42 162.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.52 ' CG ' ' HD2' ' A' ' 81' ' ' PRO . 2.7 t-80 -36.18 144.97 0.24 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.561 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.52 ' HD2' ' CG ' ' A' ' 80' ' ' HIS . 18.6 Cg_endo -74.98 -21.85 15.46 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.497 1.788 . . . . 0.0 110.964 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -77.81 -54.02 6.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.69 -9.42 36.1 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.462 ' NH2' ' O ' ' A' ' 27' ' ' HIS . 7.1 ttt180 -59.67 -32.29 70.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.605 1.191 . . . . 0.0 110.336 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.2 t -95.73 -4.86 43.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.995 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -75.35 -41.27 56.98 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.506 1.129 . . . . 0.0 109.254 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.495 ' CD1' HG23 ' A' ' 24' ' ' ILE . 6.2 mt -65.36 -13.24 14.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.532 1.145 . . . . 0.0 109.262 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 -179.988 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' HEM . . . . . 1.512 HMA3 ' CMA' ' A' ' 95' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.517 ' HB3' ' CE2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -84.9 136.76 33.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.262 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -92.61 92.3 7.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 0.0 110.97 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.522 ' O ' ' HB2' ' A' ' 79' ' ' LEU . 0.1 OUTLIER -102.21 129.62 48.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 111.032 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.451 ' CG2' ' HB2' ' A' ' 80' ' ' HIS . 52.2 p -81.09 164.35 22.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 110.348 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.491 ' CD1' HD22 ' A' ' 79' ' ' LEU . 4.2 mp -41.02 -37.13 0.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -47.78 -22.45 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 110.296 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.411 ' N ' ' C ' ' A' ' 9' ' ' LEU . 4.3 mm-40 -95.04 -54.93 3.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.14 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.5 mp -58.93 -32.15 46.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.423 ' HA ' ' NE2' ' A' ' 13' ' ' GLN . 13.7 mm-40 -55.05 -41.43 71.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 110.272 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.32 -5.98 45.35 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.806 ' CD2' ' CH2' ' A' ' 22' ' ' TRP . 96.9 m-70 -109.24 44.24 1.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.594 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.4 tttp -110.22 59.01 0.61 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 18' ' ' SER . 0.5 OUTLIER -157.63 150.26 22.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 109.263 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 17' ' ' ASP . 17.8 p -37.99 -53.9 1.33 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.977 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.34 -55.32 4.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 15' ' ' HIS . 0.2 OUTLIER -133.74 107.45 7.92 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 109.977 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.482 ' CG2' ' HA ' ' A' ' 47' ' ' ARG . 4.7 m -138.01 120.03 15.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.357 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.806 ' CH2' ' CD2' ' A' ' 15' ' ' HIS . 1.7 m0 -123.5 -173.4 2.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 107.984 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.508 ' CG1' ' O ' ' A' ' 22' ' ' TRP . 14.1 m -159.78 110.73 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 109.256 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.472 ' O ' ' CG1' ' A' ' 24' ' ' ILE . 1.2 pp -67.82 91.7 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.58 HD12 ' CE1' ' A' ' 30' ' ' TYR . 4.3 pp -111.6 137.39 49.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 50.12 47.51 23.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.666 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.443 ' CG ' ' HG3' ' A' ' 84' ' ' ARG . 5.3 m-70 56.1 20.3 4.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.598 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 25' ' ' LEU . 25.2 mtpt -137.67 116.22 12.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.543 HG13 ' CD1' ' A' ' 76' ' ' ILE . 4.4 p -85.83 137.28 21.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.58 ' CE1' HD12 ' A' ' 25' ' ' LEU . 4.2 m-85 -118.06 134.09 55.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.503 ' HA ' ' CD1' ' A' ' 22' ' ' TRP . 25.2 t0 -88.06 83.74 6.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.497 HD23 ' CBB' ' A' ' 95' ' ' HEM . 0.2 OUTLIER -93.1 27.0 2.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 18' ' ' SER . 0.5 OUTLIER -75.88 -24.12 55.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.389 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.426 ' HD3' ' O ' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -90.04 -44.19 10.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 109.333 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.626 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -89.72 7.8 34.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.952 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.404 ' HB2' ' O ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -55.23 -43.1 74.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.02 -22.56 49.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.269 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -82.41 -2.46 53.16 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.466 1.104 . . . . 0.0 110.303 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.603 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 28.0 t-80 -94.19 131.72 30.84 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.595 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.603 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.5 Cg_endo -75.05 -8.55 20.12 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.443 1.759 . . . . 0.0 110.999 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.553 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -63.26 -79.24 0.16 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.497 1.123 . . . . 0.0 111.027 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.465 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.22 -165.54 30.93 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.429 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 12.9 tt0 -120.69 -14.79 8.53 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.495 0.762 . . . . 0.0 110.348 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.512 ' HA ' ' CG ' ' A' ' 47' ' ' ARG . 0.7 OUTLIER -114.45 -27.12 7.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.464 1.103 . . . . 0.0 110.309 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.491 ' HA ' ' HB2' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -71.72 -34.65 52.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 0.0 109.29 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.422 HD22 ' ND1' ' A' ' 39' ' ' HIS . 3.5 mt -68.91 -44.65 72.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.258 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.512 ' CG ' ' HA ' ' A' ' 44' ' ' GLU . 3.3 ptm180 -81.19 -23.68 37.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.318 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.491 ' HB2' ' HA ' ' A' ' 45' ' ' VAL . 0.6 OUTLIER -43.56 -25.38 0.16 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.495 1.122 . . . . 0.0 110.345 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.432 ' N ' ' C ' ' A' ' 47' ' ' ARG . 15.0 mm100 -125.03 43.41 3.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 110.356 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.429 ' HB3' ' O ' ' A' ' 47' ' ' ARG . . . -93.34 53.26 1.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.2 -35.54 0.03 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.401 1.063 . . . . 0.0 111.051 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.442 ' O ' HG13 ' A' ' 24' ' ' ILE . . . -104.74 -140.89 10.61 Favored Glycine 0 CA--C 1.531 1.056 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.79 115.17 29.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 0.79 . . . . 0.0 109.264 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.505 ' O ' ' N ' ' A' ' 58' ' ' PHE . . . -90.73 -17.68 26.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.462 ' O ' ' CG ' ' A' ' 59' ' ' GLU . 0.3 OUTLIER -49.47 -25.98 3.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 110.428 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.45 -41.81 54.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 110.316 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -85.96 -28.21 24.4 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.569 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -72.97 -39.56 66.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 110.957 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.462 ' CG ' ' O ' ' A' ' 55' ' ' THR . 2.2 pp20? -76.68 -20.36 56.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 110.251 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -58.26 -55.43 35.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.469 HG11 ' O ' ' A' ' 58' ' ' PHE . 1.2 p -63.31 -19.01 22.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.396 1.06 . . . . 0.0 109.336 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 70.55 76.83 0.51 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.446 1.091 . . . . 0.0 110.985 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.56 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 51.8 m80 -71.38 137.82 48.68 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.501 0.765 . . . . 0.0 109.598 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.7 m -48.32 155.47 0.5 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.598 1.186 . . . . 0.0 109.999 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.9 p -74.83 -23.71 58.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.424 1.077 . . . . 0.0 110.355 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -97.97 17.33 18.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 70' ' ' LEU . 1.1 p -70.27 -41.23 78.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.267 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.26 -35.14 0.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.28 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -52.12 -35.34 47.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 67' ' ' VAL . 2.9 mm? -62.0 -62.71 1.59 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.545 1.153 . . . . 0.0 109.36 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.15 57.33 0.65 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 110.011 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.42 -41.77 21.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.8 m -110.2 -8.58 14.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 110.396 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.594 ' CE2' ' HB2' ' A' ' 35' ' ' PHE . 17.6 m-85 -88.75 29.14 1.04 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.557 HD13 ' CZ ' ' A' ' 30' ' ' TYR . 1.4 mm -103.36 150.44 6.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 0.0 109.288 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.543 ' CD1' HG13 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -115.59 -45.38 4.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.219 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 154.53 -112.63 0.53 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.43 1.081 . . . . 0.0 111.037 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -167.08 119.66 0.95 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.405 0.709 . . . . 0.0 110.31 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.522 ' HB2' ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -54.0 155.67 3.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.511 ' N ' HD21 ' A' ' 79' ' ' LEU . 3.6 t-80 -33.14 142.67 0.18 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.62 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.465 ' HD2' ' CG ' ' A' ' 80' ' ' HIS . 18.3 Cg_endo -75.11 -36.14 2.66 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.492 1.786 . . . . 0.0 110.961 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.99 -44.58 95.63 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.538 1.149 . . . . 0.0 109.277 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.78 -36.08 77.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.343 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.466 ' HB2' ' CD1' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -64.41 -38.92 92.74 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.57 1.169 . . . . 0.0 110.269 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.14 -14.25 58.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.98 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -80.05 -25.29 40.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 109.362 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.51 ' O ' ' CG2' ' A' ' 87' ' ' ILE . 20.0 mt -80.8 3.18 2.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.974 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' HEM . . . . . 1.527 HMA3 ' CMA' ' A' ' 95' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.454 HG23 ' CA ' ' A' ' 77' ' ' GLY . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.591 ' O ' ' CE2' ' A' ' 7' ' ' TYR . 0.1 OUTLIER -90.76 131.84 36.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -88.42 94.7 9.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 111.006 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.591 ' CE2' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -103.2 129.74 50.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 111.035 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.449 ' C ' ' N ' ' A' ' 10' ' ' GLU . 59.8 p -78.45 161.25 27.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.417 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.489 ' CD1' HD22 ' A' ' 79' ' ' LEU . 3.8 mp -40.26 -29.8 0.09 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.562 1.164 . . . . 0.0 109.256 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.449 ' N ' ' C ' ' A' ' 8' ' ' THR . 2.2 tt0 -51.98 -19.36 1.79 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.314 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.6 ' O ' ' CD2' ' A' ' 15' ' ' HIS . 0.6 OUTLIER -99.95 -54.82 2.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 110.373 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.4 mp -59.77 -28.51 40.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.411 ' OE1' ' CA ' ' A' ' 51' ' ' GLY . 22.1 mm100 -62.18 -43.05 99.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.55 -7.52 52.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.794 ' CD2' ' CH2' ' A' ' 22' ' ' TRP . 90.8 m-70 -105.21 46.04 0.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.589 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.3 tttp -110.14 58.06 0.61 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 20' ' ' SER . 12.1 m-20 -148.78 155.3 40.76 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 75.1 p -46.5 -44.68 17.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.042 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.1 ptmt -57.99 -41.35 82.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.344 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 17' ' ' ASP . 0.9 OUTLIER -140.03 112.29 7.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.972 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.469 ' CG2' ' HB2' ' A' ' 50' ' ' ALA . 3.4 m -145.36 113.45 6.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.359 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.794 ' CH2' ' CD2' ' A' ' 15' ' ' HIS . 3.6 m0 -117.1 -179.03 3.58 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.473 ' HB ' ' CB ' ' A' ' 54' ' ' ALA . 10.6 m -157.02 106.64 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.557 1.161 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.439 ' CG2' ' O ' ' A' ' 52' ' ' GLY . 0.0 OUTLIER -67.08 105.26 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.8 pp -125.95 128.15 47.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.349 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 43.8 t60 59.33 35.54 23.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.616 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.523 ' CG ' ' HG3' ' A' ' 84' ' ' ARG . 1.4 m170 69.96 4.93 5.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 109.607 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -121.04 110.13 15.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.557 HG13 ' CD1' ' A' ' 76' ' ' ILE . 4.3 p -86.4 137.76 20.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.257 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.579 ' CD2' HD12 ' A' ' 75' ' ' ILE . 3.4 m-85 -118.76 137.18 53.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.954 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.469 ' N ' ' CG2' ' A' ' 76' ' ' ILE . 27.8 t0 -93.86 80.15 4.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.517 HD23 ' CBB' ' A' ' 95' ' ' HEM . 0.1 OUTLIER -84.23 16.43 3.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.488 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 0.5 OUTLIER -63.85 -20.8 66.09 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 110.406 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.28 -53.01 4.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.582 1.176 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.678 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -85.13 12.73 7.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.978 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.488 ' CD1' ' HA ' ' A' ' 33' ' ' THR . 0.2 OUTLIER -59.04 -32.06 69.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -88.39 -18.19 28.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.429 1.081 . . . . 0.0 110.217 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.37 -4.26 59.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.304 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.621 ' HB2' ' CZ ' ' A' ' 35' ' ' PHE . 31.1 t-80 -88.79 131.46 41.46 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.591 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.61 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.3 Cg_endo -74.99 0.14 9.26 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.415 1.745 . . . . 0.0 110.967 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.581 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -74.0 -79.56 0.52 Allowed Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.564 1.165 . . . . 0.0 110.961 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.511 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.07 -163.59 27.73 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 18.5 tt0 -123.63 -16.88 6.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.421 0.718 . . . . 0.0 110.275 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.431 ' O ' ' OE2' ' A' ' 48' ' ' GLU . 0.2 OUTLIER -115.53 -12.16 11.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.289 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.511 ' CG1' ' HA3' ' A' ' 42' ' ' GLY . 0.2 OUTLIER -89.76 -23.49 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.435 HD22 ' ND1' ' A' ' 39' ' ' HIS . 5.6 mt -79.57 -36.74 37.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.428 ' HB3' ' CG2' ' A' ' 21' ' ' THR . 1.6 ptt180 -87.59 -21.97 25.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 110.285 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.431 ' OE2' ' O ' ' A' ' 44' ' ' GLU . 1.0 OUTLIER -48.25 -26.1 1.82 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 110.288 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -117.9 24.08 11.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 110.321 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.469 ' HB2' ' CG2' ' A' ' 21' ' ' THR . . . -86.63 62.23 7.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.575 1.172 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.411 ' CA ' ' OE1' ' A' ' 13' ' ' GLN . . . -170.07 -36.89 0.03 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.55 1.156 . . . . 0.0 111.014 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.439 ' O ' ' CG2' ' A' ' 24' ' ' ILE . . . -115.31 -125.61 3.97 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -109.78 121.57 45.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 0.77 . . . . 0.0 109.268 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.473 ' CB ' ' HB ' ' A' ' 23' ' ' VAL . . . -92.3 -21.83 20.07 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.612 ' HA ' ' HB3' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -49.38 -44.74 45.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.567 1.167 . . . . 0.0 110.389 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.89 -34.5 9.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.453 1.096 . . . . 0.0 110.298 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.468 ' HB3' ' CBC' ' A' ' 95' ' ' HEM . 4.6 m-80 -100.28 -44.02 6.08 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.562 1.164 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.612 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 0.7 OUTLIER -58.52 -39.99 81.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.525 ' HB2' ' O ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -81.58 -16.66 50.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 110.35 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.454 ' HB3' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -70.83 -53.81 13.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 0.0 109.261 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.481 HG12 ' CE1' ' A' ' 63' ' ' HIS . 0.8 OUTLIER -59.8 -19.37 17.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 69.24 78.22 0.36 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.488 1.117 . . . . 0.0 110.926 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.489 ' ND1' ' O ' ' A' ' 58' ' ' PHE . 49.8 m80 -73.92 140.01 45.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 0.785 . . . . 0.0 109.592 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.35 151.89 0.48 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 110.036 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 53.0 p -73.22 -26.35 61.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 110.401 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -95.51 15.7 19.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.8 p -74.65 -12.43 15.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.612 1.195 . . . . 0.0 109.328 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.08 -12.4 50.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.429 1.081 . . . . 0.0 110.354 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -87.72 -11.1 49.24 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.601 1.188 . . . . 0.0 110.296 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -78.4 -67.2 0.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.348 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.3 t -87.18 91.58 8.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 110.001 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.18 -52.16 2.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.45 HG22 ' CD1' ' A' ' 74' ' ' TYR . 0.6 OUTLIER -81.22 -27.59 35.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 110.42 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.45 ' CD1' HG22 ' A' ' 73' ' ' THR . 8.5 m-85 -76.3 2.36 13.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.937 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.579 HD12 ' CD2' ' A' ' 30' ' ' TYR . 1.3 mm -69.84 148.18 11.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.485 1.115 . . . . 0.0 109.25 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.557 ' CD1' HG13 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -113.57 -42.44 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 109.289 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.454 ' CA ' HG23 ' A' ' 4' ' ' VAL . . . 149.22 -119.49 1.06 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.42 1.075 . . . . 0.0 111.033 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -160.74 119.76 2.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 0.758 . . . . 0.0 110.346 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.54 ' HB2' ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -52.65 161.07 0.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.506 ' N ' HD21 ' A' ' 79' ' ' LEU . 3.0 t-80 -36.49 139.1 0.46 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.586 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -21.01 16.45 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.507 1.793 . . . . 0.0 111.038 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.498 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 0.3 OUTLIER -79.08 -40.81 30.22 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.01 -32.5 67.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.523 ' HG3' ' CG ' ' A' ' 27' ' ' HIS . 0.0 OUTLIER -62.56 -34.28 76.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.259 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.42 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 30.4 t -89.45 -15.48 33.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 110.009 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 8.4 mmtt -68.31 -35.45 77.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.15 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 24.1 mt -71.62 -9.1 12.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 85' ' ' SER . . . . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' HEM . . . . . 1.503 HMA3 ' CMA' ' A' ' 95' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.405 HG12 ' N ' ' A' ' 5' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.549 ' HB3' ' CE2' ' A' ' 7' ' ' TYR . 0.3 OUTLIER -84.21 136.53 33.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -93.6 94.87 8.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 111.035 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.549 ' CE2' ' HB3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -105.13 129.79 53.45 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.549 1.156 . . . . 0.0 110.991 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.463 ' O ' ' C ' ' A' ' 9' ' ' LEU . 42.8 p -76.62 160.0 29.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.409 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.563 ' O ' ' CG ' ' A' ' 13' ' ' GLN . 1.3 mp -35.61 -41.77 0.21 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 9' ' ' LEU . 49.9 tt0 -38.24 -28.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.48 1.113 . . . . 0.0 110.282 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.548 ' OE2' ' CG ' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -95.45 -53.15 3.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.321 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.469 ' CD1' ' HB3' ' A' ' 79' ' ' LEU . 34.3 mt -53.38 -34.98 23.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.563 ' CG ' ' O ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -81.96 -23.33 36.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.333 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.19 -14.68 60.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.406 1.066 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.475 ' ND1' ' CZ2' ' A' ' 22' ' ' TRP . 7.3 m170 -116.35 54.56 0.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.561 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -109.11 66.88 0.64 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.122 . . . . 0.0 109.254 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 20' ' ' SER . 16.2 m-20 -150.47 157.94 43.59 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.557 1.161 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.8 t -48.43 -44.72 35.44 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.438 1.086 . . . . 0.0 110.029 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -41.56 91.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 17' ' ' ASP . 0.2 OUTLIER -140.04 115.4 9.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.988 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.491 ' CG2' ' HA ' ' A' ' 47' ' ' ARG . 2.2 m -150.26 126.58 10.72 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.479 1.112 . . . . 0.0 110.376 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.475 ' CZ2' ' ND1' ' A' ' 15' ' ' HIS . 1.6 m0 -124.81 -174.34 3.01 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.444 ' CG1' ' O ' ' A' ' 22' ' ' TRP . 3.2 m -160.05 111.69 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.524 ' CG2' ' O ' ' A' ' 52' ' ' GLY . 1.1 tt -69.25 100.01 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.347 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.471 ' HG ' ' CD1' ' A' ' 30' ' ' TYR . 3.8 pp -118.94 124.77 47.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.152 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 77.0 m80 65.78 37.1 5.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.577 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 19.7 m170 66.55 12.43 8.74 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.388 1.055 . . . . 0.0 109.634 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.404 ' O ' ' CE1' ' A' ' 30' ' ' TYR . 32.0 mtpt -126.83 121.98 33.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 109.255 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.555 HG13 ' CD1' ' A' ' 76' ' ' ILE . 10.5 p -90.24 133.24 32.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.586 ' CD2' HG21 ' A' ' 75' ' ' ILE . 29.0 m-85 -121.46 133.54 55.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 110.988 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.465 ' CB ' HG23 ' A' ' 76' ' ' ILE . 14.3 t0 -91.44 92.14 8.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.445 ' N ' HD21 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -100.8 20.15 15.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.442 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 0.4 OUTLIER -66.58 -21.75 66.14 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.376 1.048 . . . . 0.0 110.375 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.6 tppt? -82.81 -50.88 8.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.22 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.555 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -87.91 7.21 31.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.973 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.442 ' CD1' ' HA ' ' A' ' 33' ' ' THR . 0.2 OUTLIER -55.34 -37.69 67.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.358 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.18 -21.85 39.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.293 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -85.81 -7.58 58.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.24 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.592 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 34.7 t-80 -83.66 133.18 47.09 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.546 1.154 . . . . 0.0 109.576 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.592 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.3 Cg_endo -75.09 -15.44 20.55 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.494 1.786 . . . . 0.0 110.999 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.584 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -56.22 -80.63 0.08 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.581 1.176 . . . . 0.0 110.984 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.489 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.05 -164.49 29.18 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.419 ' O ' ' CG ' ' A' ' 43' ' ' GLU . 7.3 tt0 -123.27 -12.81 7.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 0.753 . . . . 0.0 110.252 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 48' ' ' GLU . 0.2 OUTLIER -119.48 -1.55 10.68 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.517 1.136 . . . . 0.0 110.342 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.489 ' CG1' ' HA3' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -100.18 -26.96 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.446 HD22 ' CE1' ' A' ' 39' ' ' HIS . 1.9 mt -79.56 -33.84 41.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.421 1.076 . . . . 0.0 109.343 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.491 ' HA ' ' CG2' ' A' ' 21' ' ' THR . 5.2 ptm180 -91.38 -17.58 25.61 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 110.313 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.402 ' HB2' ' HA ' ' A' ' 45' ' ' VAL . 2.0 tm-20 -56.88 -16.47 6.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.349 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -121.17 30.23 6.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.241 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.451 ' HB2' ' CG2' ' A' ' 21' ' ' THR . . . -87.0 52.85 2.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.16 -35.46 0.03 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.584 1.178 . . . . 0.0 111.033 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.524 ' O ' ' CG2' ' A' ' 24' ' ' ILE . . . -109.93 -138.85 8.15 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -109.71 120.53 42.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.432 0.724 . . . . 0.0 109.341 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -87.7 -18.3 29.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.337 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.595 ' HA ' ' HB3' ' A' ' 58' ' ' PHE . 0.5 OUTLIER -49.47 -50.57 40.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 110.408 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -44.02 -32.97 1.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.289 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.5 ' CB ' ' CBC' ' A' ' 95' ' ' HEM . 18.6 m-20 -99.1 -50.39 4.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.595 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 1.3 t80 -51.52 -39.87 58.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 111.031 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.457 ' HB2' ' O ' ' A' ' 55' ' ' THR . 0.2 OUTLIER -78.66 -23.66 45.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.339 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.482 ' HB3' ' O ' ' A' ' 57' ' ' ASN . 23.6 t0 -64.3 -56.48 14.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.573 HG12 ' CE1' ' A' ' 63' ' ' HIS . 0.3 OUTLIER -59.9 -17.44 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 66.1 79.46 0.2 Allowed Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.528 1.142 . . . . 0.0 111.0 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.573 ' CE1' HG12 ' A' ' 61' ' ' VAL . 56.6 m80 -75.86 138.93 41.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.421 0.718 . . . . 0.0 109.562 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.404 ' O ' ' HB ' ' A' ' 67' ' ' VAL . 2.6 m -53.64 161.01 1.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.999 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.3 m -78.65 -9.29 59.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.384 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.41 ' O ' ' CD ' ' A' ' 69' ' ' GLU . 45.5 m-20 -100.1 7.53 44.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.34 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.468 HG21 ' CHB' ' A' ' 95' ' ' HEM . 0.5 OUTLIER -74.68 -30.32 24.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.414 1.071 . . . . 0.0 109.3 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.1 ptt85 -62.08 -30.84 71.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 110.298 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.41 ' CD ' ' O ' ' A' ' 66' ' ' ASP . 5.2 pt-20 -62.49 -17.44 59.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.307 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.2 mt -89.94 -40.75 12.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 74' ' ' TYR . 1.0 OUTLIER -67.35 -29.5 69.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.015 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 71' ' ' SER . 1.8 mmtt -39.41 -39.69 0.71 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.6 m -87.34 -34.92 18.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 110.41 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.461 ' N ' ' O ' ' A' ' 71' ' ' SER . 5.0 m-85 -100.03 57.69 0.98 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.084 . . . . 0.0 110.989 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.586 HG21 ' CD2' ' A' ' 30' ' ' TYR . 2.2 pp -123.92 162.16 25.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.555 ' CD1' HG13 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -125.47 -44.45 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 153.02 -114.16 0.61 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.465 1.103 . . . . 0.0 111.017 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -165.44 119.79 1.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 0.727 . . . . 0.0 110.338 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.549 HD21 ' N ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -47.93 162.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.582 1.176 . . . . 0.0 109.314 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.549 ' N ' HD21 ' A' ' 79' ' ' LEU . 4.0 t-80 -40.58 143.42 0.68 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.105 . . . . 0.0 109.625 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.491 ' HD2' ' CG ' ' A' ' 80' ' ' HIS . 18.2 Cg_endo -75.01 -28.27 9.29 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.451 1.763 . . . . 0.0 111.018 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -71.67 -42.88 66.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.243 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.86 -30.99 66.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.314 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.17 -34.09 73.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.271 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 29.1 t -83.17 -8.95 59.42 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 109.931 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -89.35 -24.16 22.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.272 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.7 mt -61.97 -13.52 9.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.338 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 -179.972 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' HEM . . . . . 1.517 HMA3 ' CMA' ' A' ' 95' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.435 ' CG2' ' HA3' ' A' ' 77' ' ' GLY . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.501 ' O ' ' CE2' ' A' ' 7' ' ' TYR . 22.3 tttt -87.7 139.28 30.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -93.13 90.93 7.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 111.04 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.501 ' CE2' ' O ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -98.57 129.7 45.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 111.036 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.428 ' C ' ' N ' ' A' ' 10' ' ' GLU . 14.9 p -78.34 155.47 30.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.409 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.492 ' CD1' HD22 ' A' ' 79' ' ' LEU . 3.2 mp -39.69 -31.92 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.428 ' N ' ' C ' ' A' ' 8' ' ' THR . 1.4 tt0 -48.62 -26.09 2.08 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.525 1.141 . . . . 0.0 110.282 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.408 ' OE1' ' HB3' ' A' ' 10' ' ' GLU . 2.7 mm-40 -97.25 -55.74 2.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.584 1.178 . . . . 0.0 110.213 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.0 mp -49.17 -38.52 11.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 37.0 mm-40 -54.46 -26.44 31.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.607 1.192 . . . . 0.0 110.332 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.13 -8.52 56.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.265 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.811 ' CE1' ' CZ2' ' A' ' 22' ' ' TRP . 36.4 m-70 -108.97 51.16 0.75 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.514 1.134 . . . . 0.0 109.598 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.5 ttpt -110.14 52.43 0.73 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -160.14 163.33 33.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.7 p -50.64 -49.83 55.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 110.006 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.86 -46.65 21.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.91 114.17 9.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.987 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.479 ' HB ' ' CD1' ' A' ' 36' ' ' LEU . 1.3 m -136.35 115.92 12.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.339 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.811 ' CZ2' ' CE1' ' A' ' 15' ' ' HIS . 41.2 m0 -114.56 175.42 5.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.467 1.104 . . . . 0.0 108.034 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.517 ' CG1' ' O ' ' A' ' 22' ' ' TRP . 26.6 m -157.7 99.29 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.468 ' HA ' ' HA ' ' A' ' 29' ' ' VAL . 4.0 tp -69.19 100.09 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 28' ' ' LYS . 4.3 pp -118.97 136.0 54.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.549 ' O ' ' CG ' ' A' ' 27' ' ' HIS . 24.1 m-70 46.04 51.65 10.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 109.585 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.549 ' CG ' ' O ' ' A' ' 26' ' ' HIS . 21.2 p-80 53.24 28.29 7.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.624 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.44 ' HG2' ' O ' ' A' ' 26' ' ' HIS . 10.2 mmmm -140.72 109.56 6.04 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.566 1.166 . . . . 0.0 109.286 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.574 ' CG2' ' HB3' ' A' ' 22' ' ' TRP . 11.1 p -88.76 138.75 18.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.622 ' CE2' ' CD1' ' A' ' 75' ' ' ILE . 5.8 m-85 -123.96 145.45 49.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.534 1.146 . . . . 0.0 111.013 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.568 ' N ' ' CG2' ' A' ' 76' ' ' ILE . 8.2 t70 -97.61 99.6 10.99 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.59 HD11 ' CE1' ' A' ' 35' ' ' PHE . 0.5 OUTLIER -94.56 -3.4 49.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.435 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 0.4 OUTLIER -52.72 -18.43 1.82 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.597 1.186 . . . . 0.0 110.334 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -90.19 -57.02 2.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.335 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.735 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -89.41 21.16 3.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.586 1.178 . . . . 0.0 110.977 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.563 ' N ' ' O ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -60.84 -41.02 95.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.01 -18.17 40.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.338 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -86.74 -5.3 59.16 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.538 1.149 . . . . 0.0 110.241 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.601 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 25.1 t-80 -86.06 130.22 51.03 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.634 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.601 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.3 Cg_endo -75.07 -3.55 14.09 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.476 1.777 . . . . 0.0 111.007 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.6 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -67.76 -80.42 0.21 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.535 1.147 . . . . 0.0 110.965 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.456 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.08 -166.92 32.92 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.434 ' O ' ' CG ' ' A' ' 43' ' ' GLU . 7.0 tt0 -122.74 -10.88 8.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 0.749 . . . . 0.0 110.315 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.433 ' O ' ' HB2' ' A' ' 48' ' ' GLU . 9.8 pm0 -119.48 -1.89 10.62 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.522 1.139 . . . . 0.0 110.281 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.456 ' CG1' ' HA3' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -100.35 -28.67 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.41 ' CD2' ' HD1' ' A' ' 39' ' ' HIS . 1.2 mt -77.27 -32.39 55.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.425 ' HA ' HG22 ' A' ' 21' ' ' THR . 0.0 OUTLIER -88.61 -21.47 23.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.245 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.433 ' HB2' ' O ' ' A' ' 44' ' ' GLU . 0.5 OUTLIER -63.03 -12.93 29.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 0.0 110.322 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.511 ' OE1' ' CB ' ' A' ' 57' ' ' ASN . 1.2 mt-30 -135.71 41.14 2.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.352 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.416 ' HA ' ' O ' ' A' ' 22' ' ' TRP . . . -104.09 60.7 0.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.418 1.074 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.26 -37.39 0.03 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.538 1.149 . . . . 0.0 110.969 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -106.26 -138.38 9.09 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -110.0 116.59 31.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.582 0.813 . . . . 0.0 109.275 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.441 ' HB2' ' HB ' ' A' ' 23' ' ' VAL . . . -92.72 -12.4 31.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.45 ' O ' ' CG ' ' A' ' 59' ' ' GLU . 0.6 OUTLIER -49.45 -24.88 2.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 110.39 179.904 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.6 -43.18 39.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.164 . . . . 0.0 110.374 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.511 ' CB ' ' OE1' ' A' ' 49' ' ' GLN . 1.3 m120 -84.62 -29.28 25.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.581 ' CE1' ' HB2' ' A' ' 63' ' ' HIS . 1.1 t80 -71.04 -39.71 72.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.45 ' CG ' ' O ' ' A' ' 55' ' ' THR . 1.6 pp20? -76.66 -21.2 55.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 110.242 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -59.72 -57.42 12.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 109.347 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.504 HG12 ' CE1' ' A' ' 63' ' ' HIS . 0.8 OUTLIER -62.13 -16.63 16.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 179.883 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 66.87 80.64 0.18 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.533 1.146 . . . . 0.0 111.015 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.581 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 59.9 m80 -73.0 140.04 47.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 0.741 . . . . 0.0 109.593 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.03 139.9 58.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 110.015 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.3 t -59.75 -15.65 21.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 110.427 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.4 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 0.4 OUTLIER -85.79 8.0 21.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.427 1.08 . . . . 0.0 109.304 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.451 ' CG2' HMA3 ' A' ' 95' ' ' HEM . 2.6 p -84.9 -23.8 7.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.351 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.6 tpp85 -53.67 -27.91 30.36 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 66' ' ' ASP . 2.5 pt-20 -86.68 -26.98 24.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -55.63 -60.3 3.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.582 1.176 . . . . 0.0 109.313 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.4 p -85.32 61.82 7.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.969 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.26 -46.03 11.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.3 m -94.93 -12.72 26.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.375 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 6.5 m-30 -89.49 22.81 2.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 111.038 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.622 ' CD1' ' CE2' ' A' ' 30' ' ' TYR . 0.9 OUTLIER -94.42 148.36 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.155 . . . . 0.0 109.295 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.679 ' CD1' ' CE3' ' A' ' 22' ' ' TRP . 0.1 OUTLIER -114.24 -41.33 3.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.435 ' HA3' ' CG2' ' A' ' 4' ' ' VAL . . . 150.49 -113.06 0.57 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.479 1.112 . . . . 0.0 111.076 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.411 ' HB3' ' HD2' ' A' ' 28' ' ' LYS . 16.9 pt-20 -170.12 119.85 0.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 0.77 . . . . 0.0 110.32 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.519 HD21 ' N ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -53.17 157.03 1.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.083 . . . . 0.0 109.286 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.519 ' N ' HD21 ' A' ' 79' ' ' LEU . 5.0 t-80 -35.92 142.35 0.3 Allowed Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 0.0 109.586 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.465 ' HD2' ' CG ' ' A' ' 80' ' ' HIS . 18.3 Cg_endo -74.98 -29.07 8.64 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.518 1.799 . . . . 0.0 110.94 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -71.73 -42.59 67.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -70.79 -32.72 69.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.343 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.466 ' HG3' ' CB ' ' A' ' 27' ' ' HIS . 0.0 OUTLIER -61.35 -32.48 72.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.339 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 42.5 t -88.18 -11.45 46.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.998 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.67 -30.51 41.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.444 HD13 ' CD2' ' A' ' 9' ' ' LEU . 6.6 mm -67.96 -9.27 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.464 1.103 . . . . 0.0 109.238 179.959 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' HEM . . . . . 1.508 HMA3 ' CMA' ' A' ' 95' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.589 ' O ' ' CE2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -84.25 130.92 34.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.449 1.093 . . . . 0.0 109.315 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -89.39 94.25 9.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 111.07 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.589 ' CE2' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -99.62 129.87 45.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.973 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.457 ' O ' ' C ' ' A' ' 9' ' ' LEU . 6.9 p -80.72 157.13 25.95 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 110.398 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.511 ' CD1' HD21 ' A' ' 79' ' ' LEU . 2.9 mp -36.46 -34.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 8' ' ' THR . 1.7 tt0 -43.15 -25.98 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.353 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.59 ' O ' ' CD2' ' A' ' 15' ' ' HIS . 12.0 mm-40 -96.85 -56.36 2.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 0.0 110.264 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.8 mp -51.21 -38.28 18.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.167 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -59.35 -42.72 92.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 110.337 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.83 -6.19 47.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.812 ' CD2' ' CH2' ' A' ' 22' ' ' TRP . 87.6 m-70 -106.2 45.23 0.99 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.669 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.5 ttpt -110.31 56.83 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 109.286 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.408 ' O ' ' OG1' ' A' ' 21' ' ' THR . 0.3 OUTLIER -153.87 154.07 33.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 109.243 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.42 ' O ' ' OG1' ' A' ' 33' ' ' THR . 76.5 p -42.97 -46.41 5.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.973 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -50.09 -56.99 8.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.415 ' O ' ' O ' ' A' ' 15' ' ' HIS . 0.5 OUTLIER -130.71 110.9 11.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.001 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.45 ' HA ' ' O ' ' A' ' 15' ' ' HIS . 3.2 m -143.17 118.28 10.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.339 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.812 ' CH2' ' CD2' ' A' ' 15' ' ' HIS . 1.1 m0 -124.47 -178.08 4.01 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.45 ' CG1' ' O ' ' A' ' 22' ' ' TRP . 16.2 m -157.26 110.37 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.492 ' CG2' ' O ' ' A' ' 52' ' ' GLY . 4.7 tt -57.28 118.99 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.359 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.586 HD13 ' CE1' ' A' ' 30' ' ' TYR . 43.4 mt -100.16 51.79 0.9 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.475 1.11 . . . . 0.0 109.331 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.415 ' O ' ' HE3' ' A' ' 28' ' ' LYS . 0.1 OUTLIER 70.35 70.95 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.615 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.685 ' HD1' ' NE ' ' A' ' 84' ' ' ARG . 0.3 OUTLIER 70.85 36.65 1.47 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.617 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.429 ' HE2' ' HB3' ' A' ' 28' ' ' LYS . 0.6 OUTLIER -170.34 89.07 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.553 HG13 ' CD1' ' A' ' 76' ' ' ILE . 3.9 p -81.22 145.86 8.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.261 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.586 ' CE1' HD13 ' A' ' 25' ' ' LEU . 5.7 m-85 -122.99 133.92 54.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 110.969 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.487 ' CB ' HG23 ' A' ' 76' ' ' ILE . 7.2 t0 -90.42 88.01 7.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.437 1.085 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.503 ' N ' HD21 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -96.65 17.07 17.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.429 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 0.6 OUTLIER -65.5 -18.12 65.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 110.374 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.99 -53.42 4.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.582 1.176 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.59 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -84.22 10.33 10.63 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.508 1.13 . . . . 0.0 110.962 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.429 ' CD1' ' HA ' ' A' ' 33' ' ' THR . 0.2 OUTLIER -55.53 -45.1 77.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.48 -23.9 53.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.603 1.19 . . . . 0.0 110.287 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -82.8 -4.91 58.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 110.309 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.585 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 33.2 t-80 -86.75 132.7 41.5 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.439 1.087 . . . . 0.0 109.58 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.585 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.5 Cg_endo -74.95 -15.18 21.02 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.443 1.76 . . . . 0.0 111.043 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.584 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -57.37 -81.19 0.07 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.447 1.092 . . . . 0.0 111.035 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.507 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.2 -165.3 30.55 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 9.9 tt0 -122.42 -13.58 8.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.564 0.802 . . . . 0.0 110.282 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -118.36 -1.03 11.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.337 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.507 ' CG1' ' HA3' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -100.05 -30.08 3.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.494 HD22 ' CE1' ' A' ' 39' ' ' HIS . 1.8 mt -75.67 -37.47 59.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.43 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 5.4 ptm180 -86.9 -22.33 25.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.412 1.07 . . . . 0.0 110.237 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.413 ' HB2' ' HA ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -47.43 -24.79 0.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 110.283 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.3 mm100 -122.35 33.74 5.37 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.093 . . . . 0.0 110.329 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.437 ' CB ' HG22 ' A' ' 21' ' ' THR . . . -84.78 52.91 2.53 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.19 -35.91 0.03 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.454 1.096 . . . . 0.0 110.977 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.492 ' O ' ' CG2' ' A' ' 24' ' ' ILE . . . -104.93 -142.15 11.24 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -110.0 118.88 37.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 0.728 . . . . 0.0 109.287 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -94.16 -14.52 25.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.615 1.197 . . . . 0.0 109.337 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.458 ' HA ' ' HB3' ' A' ' 58' ' ' PHE . 0.5 OUTLIER -49.64 -27.02 4.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.575 1.172 . . . . 0.0 110.408 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.81 -45.21 62.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.47 ' CB ' HBC2 ' A' ' 95' ' ' HEM . 83.2 m-20 -83.63 -30.78 26.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.568 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -69.1 -39.5 78.93 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.41 1.069 . . . . 0.0 110.994 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.446 ' CG ' ' O ' ' A' ' 55' ' ' THR . 2.6 pp20? -76.44 -23.05 53.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.41 ' HB3' ' O ' ' A' ' 57' ' ' ASN . 3.0 t0 -59.27 -58.19 9.74 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.536 1.147 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.466 HG11 ' O ' ' A' ' 58' ' ' PHE . 0.9 OUTLIER -60.08 -19.05 17.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.61 79.68 0.23 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.534 ' CE1' ' NC ' ' A' ' 95' ' ' HEM . 61.6 m80 -72.28 133.8 45.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 0.778 . . . . 0.0 109.616 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.474 ' O ' ' HB ' ' A' ' 67' ' ' VAL . 24.9 p -63.84 163.42 11.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.98 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 52.3 m -72.79 -6.57 45.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.427 1.079 . . . . 0.0 110.375 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.402 ' O ' ' CD ' ' A' ' 69' ' ' GLU . 10.4 m-20 -86.19 -7.7 58.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.51 HG21 ' CHB' ' A' ' 95' ' ' HEM . 0.7 OUTLIER -67.5 -32.27 56.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.451 ' HB3' ' NH1' ' A' ' 68' ' ' ARG . 9.8 ttp-105 -60.69 -39.23 87.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 110.326 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.421 ' HG2' ' CD2' ' A' ' 70' ' ' LEU . 3.2 pt-20 -54.4 -24.71 20.94 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.554 1.159 . . . . 0.0 110.337 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.421 ' CD2' ' HG2' ' A' ' 69' ' ' GLU . 3.2 mm? -85.06 -56.59 3.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.474 ' HB2' ' CD2' ' A' ' 30' ' ' TYR . 86.1 p -45.06 -28.77 0.75 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.137 . . . . 0.0 109.946 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.42 -34.01 0.48 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.7 m -102.56 -30.91 10.68 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.512 1.132 . . . . 0.0 110.447 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.569 ' CE2' ' CB ' ' A' ' 35' ' ' PHE . 7.2 m-85 -99.96 70.09 1.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.976 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.563 HD13 ' CE2' ' A' ' 30' ' ' TYR . 1.6 mm -138.02 151.65 25.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.602 HD11 ' CE3' ' A' ' 22' ' ' TRP . 0.1 OUTLIER -122.9 -43.86 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 150.07 -115.81 0.74 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.479 1.112 . . . . 0.0 110.975 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -165.25 119.76 1.28 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 0.749 . . . . 0.0 110.293 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.584 HD23 ' N ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -48.58 162.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.584 ' N ' HD23 ' A' ' 79' ' ' LEU . 7.6 t-80 -41.84 143.01 1.01 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.62 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.574 ' HA ' ' CE1' ' A' ' 27' ' ' HIS . 18.2 Cg_endo -75.06 -29.82 7.73 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.438 1.757 . . . . 0.0 111.026 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.471 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 2.4 t0 -72.28 -39.11 68.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -77.17 -24.77 51.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.685 ' NE ' ' HD1' ' A' ' 27' ' ' HIS . 0.0 OUTLIER -65.53 -33.88 76.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.324 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.419 ' N ' ' HD3' ' A' ' 84' ' ' ARG . 28.4 t -77.28 -9.79 59.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.423 1.077 . . . . 0.0 110.019 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -85.86 -27.11 25.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.428 1.08 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 11.5 mm -63.3 -12.02 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.963 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' HEM . . . . . 1.511 HMA3 ' CMA' ' A' ' 95' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.445 HG12 ' N ' ' A' ' 5' ' ' LYS . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.611 ' O ' ' CZ ' ' A' ' 7' ' ' TYR . 0.6 OUTLIER -94.76 136.14 35.42 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.562 1.164 . . . . 0.0 109.239 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -87.95 91.26 8.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.99 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.611 ' CZ ' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -100.22 129.79 46.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 111.015 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 9' ' ' LEU . 61.9 p -76.88 155.4 32.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.444 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.544 ' N ' HD11 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -36.59 -35.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.221 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 8' ' ' THR . 3.2 tt0 -40.66 -28.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.281 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.424 ' N ' ' C ' ' A' ' 9' ' ' LEU . 17.3 mm-40 -98.93 -54.69 2.92 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 0.0 110.234 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.4 mp -53.53 -37.91 32.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.409 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 11.4 pt20 -72.48 -31.42 65.38 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.113 . . . . 0.0 110.329 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.59 -4.96 40.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.397 1.061 . . . . 0.0 109.338 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.671 ' ND1' ' CZ2' ' A' ' 22' ' ' TRP . 15.8 m-70 -114.07 57.16 0.7 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.15 . . . . 0.0 109.594 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.01 55.94 0.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.346 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 20' ' ' SER . 0.2 OUTLIER -143.0 157.18 44.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 68.3 p -50.86 -42.85 59.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 110.03 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.92 -39.2 88.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 17' ' ' ASP . 0.6 OUTLIER -140.07 113.59 8.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.045 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.462 ' HA ' ' O ' ' A' ' 15' ' ' HIS . 1.8 m -153.81 118.69 5.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 110.393 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.671 ' CZ2' ' ND1' ' A' ' 15' ' ' HIS . 0.4 OUTLIER -126.92 -179.99 5.11 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.031 -1.099 . . . . 0.0 108.031 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.458 ' HB ' ' CB ' ' A' ' 54' ' ' ALA . 16.1 m -153.76 114.23 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.439 ' HA ' ' HA ' ' A' ' 29' ' ' VAL . 1.3 pp -67.54 87.91 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.432 ' O ' ' O ' ' A' ' 28' ' ' LYS . 2.7 pp -114.96 130.81 57.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.529 ' O ' ' CD ' ' A' ' 28' ' ' LYS . 1.5 t60 70.11 31.92 3.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.594 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.471 ' CG ' ' O ' ' A' ' 27' ' ' HIS . 56.0 t60 67.59 7.58 5.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.602 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.529 ' CD ' ' O ' ' A' ' 26' ' ' HIS . 0.2 OUTLIER -134.76 121.28 20.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.346 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.515 HG13 ' CD1' ' A' ' 76' ' ' ILE . 1.7 p -78.72 151.9 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.348 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.58 ' CG ' HD12 ' A' ' 75' ' ' ILE . 7.6 m-85 -128.15 127.6 43.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.997 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.445 ' CB ' HG23 ' A' ' 76' ' ' ILE . 6.1 t0 -87.79 77.15 8.64 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER -86.83 12.29 11.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.393 1.058 . . . . 0.0 109.305 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.408 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 1.2 t -61.41 -15.97 42.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 0.0 110.337 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.26 -52.73 4.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.58 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -87.54 10.26 18.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.587 1.179 . . . . 0.0 111.046 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -55.16 -41.45 71.85 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.48 1.113 . . . . 0.0 109.264 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.6 -24.89 45.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.348 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -83.46 -3.54 57.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.532 1.145 . . . . 0.0 110.335 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.605 ' CE1' ' HA3' ' A' ' 41' ' ' GLY . 32.3 t-80 -85.97 132.07 44.95 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.611 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.583 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.4 Cg_endo -74.99 -13.2 21.49 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.488 1.783 . . . . 0.0 111.033 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.605 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -59.53 -82.05 0.07 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.544 1.153 . . . . 0.0 111.033 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.451 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.15 -163.64 27.87 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.45 ' O ' ' CG ' ' A' ' 43' ' ' GLU . 8.0 tt0 -122.46 -10.69 8.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 110.275 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 48' ' ' GLU . 4.5 pm0 -121.24 -1.11 9.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 110.276 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.451 ' CG1' ' HA3' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -100.11 -25.23 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.543 HD22 ' CE1' ' A' ' 39' ' ' HIS . 1.4 mt -82.22 -33.45 29.3 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.442 ' CB ' HG22 ' A' ' 21' ' ' THR . 0.0 OUTLIER -92.49 -20.02 21.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 110.305 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' A' ' 44' ' ' GLU . 1.8 tm-20 -48.88 -25.21 1.78 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.17 . . . . 0.0 110.306 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -117.67 31.87 6.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.45 ' HB2' ' CG2' ' A' ' 21' ' ' THR . . . -88.43 60.87 5.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.26 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.13 -38.41 0.03 OUTLIER Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.44 1.087 . . . . 0.0 111.03 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -116.13 -132.07 4.94 Favored Glycine 0 CA--C 1.531 1.059 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -109.99 117.12 32.92 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 0.768 . . . . 0.0 109.324 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.528 ' O ' ' N ' ' A' ' 58' ' ' PHE . . . -90.47 -9.92 45.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.438 ' O ' ' CG ' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -49.52 -30.0 7.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.365 1.041 . . . . 0.0 110.369 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.81 -46.12 63.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.3 m-20 -80.81 -30.66 35.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.583 1.177 . . . . 0.0 109.246 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.54 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -71.64 -39.68 70.23 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.572 1.17 . . . . 0.0 110.971 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.438 ' CG ' ' O ' ' A' ' 55' ' ' THR . 2.1 pp20? -79.85 -17.02 54.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.285 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -59.9 -53.56 56.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.575 HG12 ' CE1' ' A' ' 63' ' ' HIS . 0.5 OUTLIER -66.84 -17.75 23.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.376 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 65.86 78.78 0.22 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.475 1.11 . . . . 0.0 110.986 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.575 ' CE1' HG12 ' A' ' 61' ' ' VAL . 75.2 m80 -72.49 140.06 48.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.431 0.724 . . . . 0.0 109.609 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.412 ' O ' ' HB ' ' A' ' 67' ' ' VAL . 1.6 t -63.34 169.11 3.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.565 1.166 . . . . 0.0 109.972 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.2 t -73.32 -10.91 60.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.163 . . . . 0.0 110.367 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -85.2 -3.77 58.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.15 . . . . 0.0 109.31 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.524 HG21 ' CHB' ' A' ' 95' ' ' HEM . 0.8 OUTLIER -80.8 -23.23 10.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 17.7 ttt-85 -72.68 -30.96 64.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.573 1.171 . . . . 0.0 110.268 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -93.11 7.89 42.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.77 -60.72 2.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.9 m -86.4 69.19 10.4 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.111 . . . . 0.0 109.983 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -76.86 -51.21 11.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.9 m -89.31 -37.27 15.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.42 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.488 ' O ' ' C ' ' A' ' 75' ' ' ILE . 22.5 m-30 -51.73 -46.21 63.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 111.026 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.58 HD12 ' CG ' ' A' ' 30' ' ' TYR . 1.2 mm -33.86 140.14 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.515 ' CD1' HG13 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -103.67 -47.73 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.262 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 158.36 -112.69 0.54 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.503 1.127 . . . . 0.0 110.951 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -168.48 119.47 0.78 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.52 0.776 . . . . 0.0 110.315 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.528 ' HB2' ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -56.23 163.81 1.51 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.588 ' CE1' ' HB2' ' A' ' 82' ' ' ASP . 3.3 t-80 -42.07 141.02 1.43 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.581 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.557 ' HD2' ' CD2' ' A' ' 80' ' ' HIS . 18.3 Cg_endo -74.97 -28.41 9.25 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.477 1.778 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.588 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 0.5 OUTLIER -76.12 -31.75 58.8 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.413 ' OD2' HD13 ' A' ' 9' ' ' LEU . 2.7 m-20 -86.33 -19.74 29.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.462 ' HB2' ' CD1' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -70.1 -30.35 67.53 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.534 1.146 . . . . 0.0 110.276 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.408 ' N ' ' HD3' ' A' ' 84' ' ' ARG . 1.0 OUTLIER -87.99 -11.15 48.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.368 1.042 . . . . 0.0 109.98 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.6 mtpt -94.33 -16.33 23.61 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.465 ' CG1' HD21 ' A' ' 9' ' ' LEU . 13.2 mt -68.98 -6.38 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 109.338 179.996 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' HEM . . . . . 1.523 HMA3 ' CMA' ' A' ' 95' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.421 HG12 ' N ' ' A' ' 5' ' ' LYS . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.48 ' O ' ' CE2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -88.69 139.03 30.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -91.89 90.88 7.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.577 1.173 . . . . 0.0 110.974 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.498 ' O ' ' HB2' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -98.03 129.97 44.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 111.022 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.469 ' O ' ' C ' ' A' ' 9' ' ' LEU . 13.2 p -81.2 158.37 24.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.429 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.545 ' O ' ' CG ' ' A' ' 13' ' ' GLN . 0.8 OUTLIER -35.51 -40.59 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 9' ' ' LEU . 4.8 tp10 -34.69 -32.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.274 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.511 ' N ' ' O ' ' A' ' 9' ' ' LEU . 17.6 mm-40 -96.65 -51.95 4.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.494 ' CD1' ' HB3' ' A' ' 79' ' ' LEU . 0.5 OUTLIER -50.66 -38.67 17.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.167 . . . . 0.0 109.345 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.545 ' CG ' ' O ' ' A' ' 9' ' ' LEU . 0.8 OUTLIER -77.18 -25.34 51.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.093 . . . . 0.0 110.348 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -75.19 -13.12 60.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.594 ' ND1' ' CZ2' ' A' ' 22' ' ' TRP . 9.9 m-70 -116.93 55.27 0.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.419 1.075 . . . . 0.0 109.589 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.7 tttm -108.97 64.43 0.61 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -157.25 152.97 26.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.423 1.077 . . . . 0.0 109.291 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 19' ' ' LYS . 8.0 t -39.58 -58.94 1.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.975 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -39.8 -54.28 2.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.31 109.85 7.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 110.021 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.475 ' CG2' ' HA ' ' A' ' 47' ' ' ARG . 1.6 m -140.94 122.55 15.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.413 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.594 ' CZ2' ' ND1' ' A' ' 15' ' ' HIS . 1.4 m0 -120.56 -173.72 2.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 107.997 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.477 ' CG1' ' O ' ' A' ' 22' ' ' TRP . 5.6 m -159.98 111.72 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 109.342 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.481 ' C ' ' CD1' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -71.61 99.67 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 109.38 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.554 HD12 ' CE1' ' A' ' 30' ' ' TYR . 4.3 pp -118.2 133.59 55.77 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.563 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 0.2 OUTLIER 54.49 35.05 22.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.592 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.564 ' CG ' ' O ' ' A' ' 27' ' ' HIS . 3.6 t60 70.67 8.29 6.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.575 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.563 ' HG2' ' O ' ' A' ' 26' ' ' HIS . 0.0 OUTLIER -124.04 117.15 24.06 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.507 1.129 . . . . 0.0 109.249 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.545 HG13 ' CD1' ' A' ' 76' ' ' ILE . 5.4 p -88.41 141.92 13.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.586 1.179 . . . . 0.0 109.245 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.573 ' CD2' HG21 ' A' ' 75' ' ' ILE . 28.4 m-85 -124.53 132.87 53.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.093 . . . . 0.0 111.037 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.438 ' CB ' HG23 ' A' ' 76' ' ' ILE . 15.3 t70 -90.67 79.82 6.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.524 HD23 ' CBB' ' A' ' 95' ' ' HEM . 0.1 OUTLIER -86.8 14.91 6.37 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.463 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 0.5 OUTLIER -63.81 -17.86 63.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 110.415 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -90.08 -54.96 3.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.354 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.642 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -85.01 12.03 8.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 111.031 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.463 ' CD1' ' HA ' ' A' ' 33' ' ' THR . 0.2 OUTLIER -56.46 -40.22 74.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.38 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.65 -19.2 45.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.6 -2.35 58.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.339 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.594 ' CE1' ' HA3' ' A' ' 41' ' ' GLY . 28.5 t-80 -91.29 131.27 37.07 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.574 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.587 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.1 Cg_endo -74.97 -9.84 21.0 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.593 1.839 . . . . 0.0 111.019 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.594 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -61.43 -81.32 0.09 OUTLIER Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.485 1.116 . . . . 0.0 111.055 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.457 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.25 -165.28 30.56 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.455 ' O ' ' CG ' ' A' ' 43' ' ' GLU . 14.0 tt0 -122.71 -10.39 8.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 0.747 . . . . 0.0 110.248 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.564 ' O ' ' CG ' ' A' ' 44' ' ' GLU . 5.0 tt0 -120.68 -2.0 9.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.457 ' CG1' ' HA3' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -99.82 -27.51 3.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.383 1.052 . . . . 0.0 109.333 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.458 HD22 ' CE1' ' A' ' 39' ' ' HIS . 1.2 mt -79.57 -33.71 41.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.133 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.475 ' HA ' ' CG2' ' A' ' 21' ' ' THR . 10.0 ptm180 -90.26 -21.54 22.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.258 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -52.37 -29.31 23.3 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -105.41 15.9 26.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 110.258 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.468 ' HB2' ' CG2' ' A' ' 21' ' ' THR . . . -80.37 54.99 2.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.08 -35.42 0.03 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.473 1.108 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.476 ' O ' ' CG2' ' A' ' 24' ' ' ILE . . . -118.77 -127.43 3.68 Favored Glycine 0 CA--C 1.529 0.969 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.438 ' HB2' HG21 ' A' ' 55' ' ' THR . 26.3 p-10 -109.64 123.83 50.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 0.747 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.468 ' CB ' ' HB ' ' A' ' 23' ' ' VAL . . . -93.23 -21.4 19.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 109.286 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.611 ' HA ' ' HB3' ' A' ' 58' ' ' PHE . 0.2 OUTLIER -49.53 -47.41 48.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 110.403 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.37 -32.17 4.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.488 ' O ' ' HB3' ' A' ' 60' ' ' ASP . 6.3 m-20 -100.09 -45.51 5.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.611 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 1.0 OUTLIER -58.57 -39.96 81.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.574 1.171 . . . . 0.0 111.025 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.498 ' HB2' ' O ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -80.72 -19.38 45.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 110.277 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.488 ' HB3' ' O ' ' A' ' 57' ' ' ASN . 0.2 OUTLIER -67.02 -55.57 13.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.58 HG12 ' CE1' ' A' ' 63' ' ' HIS . 0.6 OUTLIER -59.82 -18.33 15.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 68.14 78.63 0.29 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.522 1.139 . . . . 0.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.58 ' CE1' HG12 ' A' ' 61' ' ' VAL . 56.5 m80 -75.5 140.13 42.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 0.752 . . . . 0.0 109.612 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 41.0 t -54.54 157.85 2.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.402 1.064 . . . . 0.0 109.947 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.7 m -78.37 -25.7 46.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 110.413 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -85.19 7.8 20.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -77.43 -25.97 15.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.283 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -59.94 -23.38 63.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 110.348 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -71.65 -21.59 61.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.57 1.169 . . . . 0.0 110.237 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.94 -62.61 1.49 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.217 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 62.3 p -74.85 86.19 2.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.596 1.185 . . . . 0.0 109.987 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.511 ' O ' ' CG1' ' A' ' 75' ' ' ILE . 0.1 OUTLIER -127.71 -43.3 1.56 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.1 m -90.73 -19.81 23.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.354 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.405 ' O ' ' C ' ' A' ' 75' ' ' ILE . 14.5 m-85 -85.81 -36.63 19.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.573 HG21 ' CD2' ' A' ' 30' ' ' TYR . 0.7 OUTLIER -39.15 141.26 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.91 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.545 ' CD1' HG13 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -103.23 -42.02 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 151.62 -116.14 0.74 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -160.74 120.02 2.65 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 0.777 . . . . 0.0 110.311 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.558 HD22 ' N ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -54.31 159.3 2.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.263 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.558 ' N ' HD22 ' A' ' 79' ' ' LEU . 2.6 t-80 -35.67 139.11 0.39 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.561 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.548 ' O ' ' HG3' ' A' ' 84' ' ' ARG . 18.3 Cg_endo -75.07 -24.36 12.78 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.526 1.803 . . . . 0.0 110.994 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.7 -17.23 51.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.5 ' HB2' ' CD2' ' A' ' 79' ' ' LEU . 0.5 OUTLIER -89.7 -43.4 10.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.548 ' HG3' ' O ' ' A' ' 81' ' ' PRO . 0.2 OUTLIER -59.62 -23.13 62.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 110.334 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.88 -8.98 29.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 109.955 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -82.03 -32.45 30.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.435 1.084 . . . . 0.0 109.351 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.452 HD12 ' CD2' ' A' ' 9' ' ' LEU . 28.5 mt -69.35 -6.53 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.127 . . . . 0.0 109.243 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.14 . . . . 0.0 109.337 179.971 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' HEM . . . . . 1.513 HMA3 ' CMA' ' A' ' 95' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.472 HG23 ' CA ' ' A' ' 77' ' ' GLY . 1.1 t . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.675 ' O ' ' CE2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -99.42 141.42 32.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -79.95 101.69 8.77 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.675 ' CE2' ' O ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -103.8 129.84 51.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 111.006 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.493 ' CG2' ' HB2' ' A' ' 80' ' ' HIS . 44.3 p -81.76 160.89 23.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.395 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.529 ' O ' ' CG ' ' A' ' 13' ' ' GLN . 1.0 OUTLIER -34.75 -39.82 0.1 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 9' ' ' LEU . 67.7 tt0 -35.84 -31.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.24 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' A' ' 9' ' ' LEU . 20.0 mm-40 -102.54 -46.67 4.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.323 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -54.88 -36.51 37.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.282 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.529 ' CG ' ' O ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -82.14 -24.74 34.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.596 1.185 . . . . 0.0 110.242 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.88 -30.55 65.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.658 ' ND1' ' CZ2' ' A' ' 22' ' ' TRP . 13.3 m-70 -93.93 58.79 2.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.598 1.186 . . . . 0.0 109.649 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.3 tmtt? -110.2 60.77 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 20' ' ' SER . 3.0 m-20 -155.42 151.0 27.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.255 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.6 t -39.61 -51.11 2.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.024 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.8 -46.81 42.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.435 1.084 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 17' ' ' ASP . 0.3 OUTLIER -140.13 113.15 8.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.133 . . . . 0.0 109.989 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.46 ' CG2' ' HB2' ' A' ' 50' ' ' ALA . 7.6 m -145.68 116.83 7.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 110.423 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.658 ' CZ2' ' ND1' ' A' ' 15' ' ' HIS . 1.1 m0 -121.9 -177.82 3.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 108.009 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.482 ' CG1' ' O ' ' A' ' 22' ' ' TRP . 10.6 m -159.25 109.85 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.427 1.079 . . . . 0.0 109.361 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.439 HD13 ' C ' ' A' ' 24' ' ' ILE . 0.1 OUTLIER -63.94 109.07 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.57 HD12 ' CE1' ' A' ' 30' ' ' TYR . 4.3 pp -132.67 129.54 38.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 31.4 m80 61.92 34.5 16.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 109.591 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.4 m80 70.11 2.27 3.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.544 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.41 ' O ' ' O ' ' A' ' 25' ' ' LEU . 0.3 OUTLIER -123.21 117.98 26.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.23 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.541 HG13 ' CD1' ' A' ' 76' ' ' ILE . 5.5 p -84.99 141.96 13.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.596 ' CG ' HD12 ' A' ' 75' ' ' ILE . 5.1 m-85 -123.18 134.42 54.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 0.0 110.985 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -85.42 86.34 7.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.465 ' O ' ' HB2' ' A' ' 36' ' ' LEU . 1.3 mt -82.85 12.29 5.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.477 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 0.4 OUTLIER -69.78 -18.66 63.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 110.405 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.19 -52.48 4.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.25 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.691 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -89.98 15.75 9.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.968 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.477 ' CD1' ' HA ' ' A' ' 33' ' ' THR . 0.2 OUTLIER -57.42 -50.36 73.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.348 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.46 -22.75 61.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.446 1.091 . . . . 0.0 110.328 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -82.19 -1.64 49.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 110.248 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.597 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 28.6 t-80 -94.08 131.48 31.52 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.626 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.597 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.3 Cg_endo -74.97 -8.82 20.45 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.502 1.791 . . . . 0.0 111.004 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.566 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -62.65 -80.76 0.11 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.559 1.162 . . . . 0.0 110.957 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.482 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.21 -164.01 28.51 Favored Glycine 0 CA--C 1.531 1.051 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 12.4 tt0 -123.34 -12.57 7.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 0.783 . . . . 0.0 110.304 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -118.77 -7.72 10.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.272 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.482 ' CG1' ' HA3' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -93.61 -27.54 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 109.275 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.432 HD22 ' ND1' ' A' ' 39' ' ' HIS . 2.0 mt -77.31 -36.45 54.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.421 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 0.2 OUTLIER -87.73 -19.68 27.26 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.45 ' O ' ' NE2' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -53.03 -21.97 5.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.313 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.45 ' NE2' ' O ' ' A' ' 48' ' ' GLU . 64.8 mm-40 -124.82 30.21 5.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.31 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.46 ' HB2' ' CG2' ' A' ' 21' ' ' THR . . . -87.2 57.72 4.62 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -169.99 -36.17 0.03 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.545 1.153 . . . . 0.0 111.016 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -106.7 -136.17 8.19 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.43 ' O ' ' CG ' ' A' ' 56' ' ' GLU . 25.3 p-10 -109.81 117.23 33.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 0.786 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.422 ' CB ' ' HB ' ' A' ' 23' ' ' VAL . . . -91.42 -19.62 22.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.118 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.456 ' HA ' ' HB3' ' A' ' 58' ' ' PHE . 0.6 OUTLIER -49.78 -29.39 7.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.421 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.43 ' CG ' ' O ' ' A' ' 53' ' ' ASP . 0.1 OUTLIER -68.84 -46.34 68.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.333 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.443 ' HB3' ' CBC' ' A' ' 95' ' ' HEM . 2.8 m120 -80.92 -33.4 34.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.578 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 0.7 OUTLIER -66.61 -39.78 88.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 111.008 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.407 ' C ' ' CD ' ' A' ' 59' ' ' GLU . 2.3 pp20? -78.26 -21.61 49.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.255 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -62.64 -56.43 17.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.443 HG11 ' O ' ' A' ' 58' ' ' PHE . 1.1 p -60.17 -21.45 22.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 71.71 77.29 0.54 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.542 1.151 . . . . 0.0 110.959 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.463 ' ND1' ' O ' ' A' ' 58' ' ' PHE . 48.0 m80 -70.31 140.16 52.22 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.493 0.761 . . . . 0.0 109.58 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.422 ' O ' ' HB ' ' A' ' 67' ' ' VAL . 4.5 t -63.46 168.0 4.99 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.471 1.107 . . . . 0.0 110.057 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 11.2 t -73.95 -10.21 59.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.4 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -86.77 -3.6 59.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.525 HG21 ' CHB' ' A' ' 95' ' ' HEM . 1.2 t -82.6 -37.07 13.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.339 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.7 ttt180 -63.53 -29.43 70.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 110.248 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -90.49 -28.46 18.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 110.257 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.48 -59.88 3.35 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.2 m -75.62 123.65 25.88 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.998 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.89 -64.41 0.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.3 m -77.42 -29.51 53.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.456 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.419 ' O ' ' C ' ' A' ' 75' ' ' ILE . 21.0 m-85 -62.13 -38.24 88.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.596 HD12 ' CG ' ' A' ' 30' ' ' TYR . 0.6 OUTLIER -38.96 140.06 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.536 1.147 . . . . 0.0 109.267 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.567 HD11 ' CE3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -99.68 -48.48 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.426 1.079 . . . . 0.0 109.306 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.472 ' CA ' HG23 ' A' ' 4' ' ' VAL . . . 162.25 -111.37 0.47 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.411 1.07 . . . . 0.0 110.975 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -164.36 119.69 1.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 0.736 . . . . 0.0 110.358 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.521 HD23 ' N ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -61.77 155.27 23.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.168 . . . . 0.0 109.327 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.521 ' N ' HD23 ' A' ' 79' ' ' LEU . 1.8 t-80 -32.32 134.59 0.27 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.562 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -18.5 18.67 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.515 1.798 . . . . 0.0 110.969 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -80.02 -36.77 35.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.67 -28.94 40.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.454 ' HB2' ' CD1' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -63.06 -35.54 80.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.572 1.17 . . . . 0.0 110.366 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.2 t -85.91 -12.04 51.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.006 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -81.89 -34.78 29.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.472 HD12 ' CD2' ' A' ' 9' ' ' LEU . 14.5 mt -68.89 -11.07 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 87' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.372 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' HEM . . . . . 1.49 HMA3 ' CMA' ' A' ' 95' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.505 ' CG2' ' HA3' ' A' ' 77' ' ' GLY . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.64 ' O ' ' CE2' ' A' ' 7' ' ' TYR . 1.0 OUTLIER -93.52 124.7 37.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -80.22 87.61 5.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.64 ' CE2' ' O ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -97.56 129.78 44.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 111.021 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 66.5 p -77.72 164.3 25.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.44 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.469 ' CD1' HD21 ' A' ' 79' ' ' LEU . 3.7 mp -42.93 -31.02 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.411 ' C ' ' OE1' ' A' ' 11' ' ' GLU . 0.8 OUTLIER -48.39 -23.41 0.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 110.325 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.411 ' OE1' ' C ' ' A' ' 10' ' ' GLU . 3.1 mm-40 -100.48 -54.33 2.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.144 . . . . 0.0 110.353 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.7 mp -55.06 -33.64 29.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.251 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -56.24 -38.8 71.58 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.72 -8.43 54.15 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.509 1.13 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.801 ' CD2' ' CH2' ' A' ' 22' ' ' TRP . 93.6 m-70 -108.84 46.11 0.99 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 0.0 109.558 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.9 ttmt -110.19 56.69 0.62 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.107 . . . . 0.0 109.256 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.43 ' O ' ' OG1' ' A' ' 21' ' ' THR . 2.2 t70 -157.31 152.21 25.72 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 17' ' ' ASP . 85.0 p -37.49 -56.32 1.02 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.41 1.069 . . . . 0.0 110.028 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.2 -51.25 6.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.363 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.42 ' O ' ' O ' ' A' ' 15' ' ' HIS . 0.1 OUTLIER -135.61 110.6 8.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.982 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.512 ' CG2' ' HA ' ' A' ' 47' ' ' ARG . 18.7 m -140.99 117.23 10.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.461 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.801 ' CH2' ' CD2' ' A' ' 15' ' ' HIS . 2.6 m0 -121.76 -175.67 3.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 108.061 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.502 ' CG1' ' O ' ' A' ' 22' ' ' TRP . 15.4 m -159.28 108.76 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.411 1.069 . . . . 0.0 109.327 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' ' 24' ' ' ILE . 1.1 pp -67.99 102.08 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.597 HD12 ' CE1' ' A' ' 30' ' ' TYR . 3.8 pp -121.09 122.55 40.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.227 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.461 ' O ' ' CD ' ' A' ' 28' ' ' LYS . 2.2 m80 62.6 35.86 14.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.596 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.55 ' CG ' ' O ' ' A' ' 27' ' ' HIS . 1.1 t60 70.24 3.54 4.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.555 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.461 ' CD ' ' O ' ' A' ' 26' ' ' HIS . 0.1 OUTLIER -117.81 109.18 16.25 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.54 HG13 ' CD1' ' A' ' 76' ' ' ILE . 2.9 p -84.75 138.94 18.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.475 1.109 . . . . 0.0 109.337 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.597 ' CE1' HD12 ' A' ' 25' ' ' LEU . 4.0 m-85 -119.87 134.26 55.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.968 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.506 ' HA ' ' CD1' ' A' ' 22' ' ' TRP . 14.1 t70 -89.77 77.07 7.12 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.453 1.096 . . . . 0.0 109.221 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.523 HD23 ' CBB' ' A' ' 95' ' ' HEM . 0.2 OUTLIER -82.45 15.83 2.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.481 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 0.5 OUTLIER -64.72 -20.75 66.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.437 1.085 . . . . 0.0 110.425 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -90.19 -52.96 4.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.658 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -85.64 12.01 9.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.165 . . . . 0.0 110.94 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.481 ' CD1' ' HA ' ' A' ' 33' ' ' THR . 0.2 OUTLIER -56.27 -42.85 78.09 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.405 1.066 . . . . 0.0 109.274 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -79.27 -22.7 44.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 110.329 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -82.09 -4.39 56.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.286 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.62 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 27.9 t-80 -89.19 131.74 39.85 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 109.603 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.62 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.4 Cg_endo -74.97 -8.17 19.86 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.514 1.797 . . . . 0.0 110.975 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.575 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -63.57 -80.68 0.12 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.473 1.108 . . . . 0.0 110.95 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.487 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.08 -167.75 34.06 Favored Glycine 0 CA--C 1.528 0.899 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.419 ' O ' ' CG ' ' A' ' 43' ' ' GLU . 8.3 tt0 -122.43 -12.18 8.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 0.743 . . . . 0.0 110.371 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.558 ' O ' ' CG ' ' A' ' 44' ' ' GLU . 6.2 tt0 -118.46 -2.6 11.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.342 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.487 ' CG1' ' HA3' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -99.94 -30.94 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.374 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.2 mt -73.83 -36.38 64.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.157 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.512 ' HA ' ' CG2' ' A' ' 21' ' ' THR . 8.1 ptm180 -86.81 -26.67 23.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 110.329 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.432 ' HB2' ' O ' ' A' ' 44' ' ' GLU . 0.5 OUTLIER -51.08 -21.13 1.71 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 110.341 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.441 ' OE1' ' HB2' ' A' ' 57' ' ' ASN . 8.1 mt-30 -120.89 27.68 8.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.413 1.07 . . . . 0.0 110.263 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.472 ' HB2' ' CG2' ' A' ' 21' ' ' THR . . . -90.58 60.46 4.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.251 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.09 -37.11 0.03 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.483 1.115 . . . . 0.0 110.953 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.421 ' O ' HG13 ' A' ' 24' ' ' ILE . . . -112.26 -135.94 6.65 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -109.82 120.52 42.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.418 0.717 . . . . 0.0 109.272 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -98.68 -14.24 19.91 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.454 1.097 . . . . 0.0 109.285 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.467 ' O ' ' CG ' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -49.61 -28.42 5.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.428 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -71.04 -41.94 70.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.147 . . . . 0.0 110.328 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.441 ' HB2' ' OE1' ' A' ' 49' ' ' GLN . 2.5 m120 -84.5 -35.11 23.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.524 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 1.6 t80 -66.16 -39.6 89.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.084 . . . . 0.0 110.968 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.467 ' CG ' ' O ' ' A' ' 55' ' ' THR . 2.1 pp20? -78.91 -22.08 46.41 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.517 1.136 . . . . 0.0 110.294 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.405 ' HB3' ' O ' ' A' ' 57' ' ' ASN . 0.4 OUTLIER -61.36 -56.48 19.9 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.456 1.097 . . . . 0.0 109.272 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.453 HG23 ' C2D' ' A' ' 95' ' ' HEM . 1.0 OUTLIER -59.85 -16.6 11.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.338 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 65.0 80.74 0.14 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.509 1.13 . . . . 0.0 111.029 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.433 ' ND1' ' O ' ' A' ' 58' ' ' PHE . 54.0 m80 -69.93 139.89 52.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.421 0.718 . . . . 0.0 109.639 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.55 167.8 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.09 . . . . 0.0 109.987 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 22.1 p -76.08 -16.7 59.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 110.408 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -89.47 8.23 32.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -78.53 -30.15 15.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.447 ' HG3' ' N ' ' A' ' 69' ' ' GLU . 4.3 ptt180 -65.36 -27.57 68.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.255 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.447 ' N ' ' HG3' ' A' ' 68' ' ' ARG . 13.9 pt-20 -100.18 17.49 21.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.79 -64.72 1.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 74.6 m -89.86 96.35 10.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.034 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.88 -63.26 1.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.5 m -71.64 -38.21 70.77 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.522 1.139 . . . . 0.0 110.423 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.443 ' O ' ' C ' ' A' ' 75' ' ' ILE . 18.2 m-85 -54.55 -41.2 69.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.574 1.171 . . . . 0.0 111.028 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.574 HD12 ' CD2' ' A' ' 30' ' ' TYR . 1.1 mm -35.88 142.49 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.54 ' CD1' HG13 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -106.78 -43.96 7.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.096 . . . . 0.0 109.271 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.505 ' HA3' ' CG2' ' A' ' 4' ' ' VAL . . . 155.87 -110.89 0.46 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.454 1.096 . . . . 0.0 111.016 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.433 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 4.1 pt-20 -170.04 119.74 0.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 0.78 . . . . 0.0 110.356 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.518 HD23 ' N ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -60.64 152.83 25.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.275 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.518 ' N ' HD23 ' A' ' 79' ' ' LEU . 2.0 t-80 -31.08 137.39 0.2 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.654 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 80' ' ' HIS . 18.0 Cg_endo -75.09 -19.16 17.94 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.527 1.804 . . . . 0.0 110.973 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -79.99 -45.42 18.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.42 ' O ' ' HB2' ' A' ' 86' ' ' LYS . 0.4 OUTLIER -66.65 -32.79 74.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.286 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.471 ' HB2' ' CD1' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -64.81 -39.57 93.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.327 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.402 ' O ' ' HB1' ' A' ' 88' ' ' ALA . 47.6 t -87.27 -4.72 59.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 110.0 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.42 ' HB2' ' O ' ' A' ' 83' ' ' ASP . 1.3 mttt -71.23 -41.88 69.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.419 ' O ' HG21 ' A' ' 87' ' ' ILE . 21.6 mt -84.9 -7.26 10.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.423 1.077 . . . . 0.0 109.334 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.402 ' HB1' ' O ' ' A' ' 85' ' ' SER . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.337 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' HEM . . . . . 1.551 HMA3 ' CMA' ' A' ' 95' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.402 HG12 ' N ' ' A' ' 5' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.552 ' O ' ' CE2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -86.43 135.9 33.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -89.74 93.27 9.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 111.058 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.595 ' CE1' HD12 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -98.88 129.84 45.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 110.993 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.471 ' O ' ' C ' ' A' ' 9' ' ' LEU . 19.9 p -84.19 158.26 21.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.404 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.569 ' O ' ' CG ' ' A' ' 13' ' ' GLN . 1.5 mp -35.21 -35.87 0.05 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.555 1.16 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.472 ' O ' ' HB2' ' A' ' 14' ' ' LYS . 3.4 tt0 -36.43 -29.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 110.334 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.533 ' N ' ' O ' ' A' ' 9' ' ' LEU . 3.8 mm-40 -101.43 -54.43 2.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 0.0 110.26 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.454 ' CD1' ' HB2' ' A' ' 79' ' ' LEU . 3.1 mp -48.14 -40.0 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.243 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.569 ' CG ' ' O ' ' A' ' 9' ' ' LEU . 1.4 pt20 -76.09 -27.73 57.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.362 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.472 ' HB2' ' O ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -75.26 -13.96 60.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.647 ' ND1' ' CZ2' ' A' ' 22' ' ' TRP . 12.7 m-70 -111.7 59.74 0.62 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.621 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -110.11 48.83 0.88 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 18' ' ' SER . 6.7 t0 -142.33 145.32 33.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 17' ' ' ASP . 56.2 p -37.33 -49.4 0.97 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.046 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.44 -55.16 4.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.239 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.25 111.26 7.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.974 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.463 ' CG2' ' HB2' ' A' ' 50' ' ' ALA . 1.9 m -139.16 127.76 23.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.09 . . . . 0.0 110.438 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.647 ' CZ2' ' ND1' ' A' ' 15' ' ' HIS . 1.2 m0 -125.44 -177.62 3.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 108.021 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.504 ' CG1' ' O ' ' A' ' 22' ' ' TRP . 27.9 m -158.51 110.66 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.441 ' HA ' ' HA ' ' A' ' 29' ' ' VAL . 0.9 OUTLIER -67.84 120.4 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.282 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 28' ' ' LYS . 3.2 pp -141.21 150.27 42.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 7.8 t60 44.27 28.49 0.29 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.605 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.411 ' C ' ' HG2' ' A' ' 28' ' ' LYS . 8.6 m-70 69.79 42.4 1.07 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 109.538 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 25' ' ' LEU . 2.5 ptpt -160.65 120.49 2.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.323 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.581 HG12 ' CD1' ' A' ' 76' ' ' ILE . 6.0 p -82.89 138.52 19.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 0.0 109.267 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.561 ' CZ ' ' CD1' ' A' ' 75' ' ' ILE . 5.6 m-85 -119.2 136.76 54.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 111.03 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.464 ' HB2' ' CG2' ' A' ' 76' ' ' ILE . 18.9 t0 -90.47 77.32 6.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.481 HD23 ' CBB' ' A' ' 95' ' ' HEM . 0.2 OUTLIER -88.09 21.35 2.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.466 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 1.0 OUTLIER -71.34 -23.68 61.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.425 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.424 ' N ' HG23 ' A' ' 33' ' ' THR . 0.0 OUTLIER -86.32 -50.53 6.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.65 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -86.26 11.68 11.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.085 . . . . 0.0 111.048 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.466 ' CD1' ' HA ' ' A' ' 33' ' ' THR . 0.2 OUTLIER -59.5 -44.97 92.97 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.555 1.16 . . . . 0.0 109.334 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.52 -24.07 50.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.402 1.064 . . . . 0.0 110.276 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -81.2 -8.23 59.72 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.543 1.152 . . . . 0.0 110.283 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.6 ' CE1' ' HA3' ' A' ' 41' ' ' GLY . 34.6 t-80 -85.38 132.78 43.93 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.586 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.583 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.4 Cg_endo -74.99 -14.2 21.22 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.469 1.773 . . . . 0.0 110.988 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.6 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -57.94 -79.65 0.1 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.606 1.191 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.467 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.21 -166.27 32.04 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.437 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 10.6 tt0 -120.06 -14.26 8.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 0.755 . . . . 0.0 110.263 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.529 ' HA ' ' CG ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -113.88 -27.87 7.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 110.299 -179.93 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.498 ' HA ' ' HB2' ' A' ' 48' ' ' GLU . 0.2 OUTLIER -69.39 -42.53 81.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.552 1.157 . . . . 0.0 109.349 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.457 HD22 ' CE1' ' A' ' 39' ' ' HIS . 1.3 mt -61.86 -49.73 75.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.353 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.529 ' CG ' ' HA ' ' A' ' 44' ' ' GLU . 0.8 OUTLIER -74.75 -24.73 58.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.405 1.066 . . . . 0.0 110.277 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.498 ' HB2' ' HA ' ' A' ' 45' ' ' VAL . 0.7 OUTLIER -43.66 -28.31 0.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.39 1.056 . . . . 0.0 110.285 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.408 ' HB2' ' CB ' ' A' ' 54' ' ' ALA . 94.1 mm-40 -118.5 40.23 3.27 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.513 1.133 . . . . 0.0 110.25 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.463 ' HB2' ' CG2' ' A' ' 21' ' ' THR . . . -97.81 57.87 1.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 0.0 109.307 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.13 -36.17 0.03 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.4 ' O ' HG13 ' A' ' 24' ' ' ILE . . . -117.14 -128.85 4.15 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 41.0 p-10 -109.91 122.77 48.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 0.75 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.408 ' CB ' ' HB2' ' A' ' 49' ' ' GLN . . . -103.27 -12.97 16.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.237 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.477 ' O ' ' CG ' ' A' ' 59' ' ' GLU . 0.9 OUTLIER -49.56 -29.9 7.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 110.352 -179.938 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.0 -43.93 66.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.3 m-20 -81.56 -31.33 32.72 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.423 1.077 . . . . 0.0 109.303 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.675 ' CE1' ' C4B' ' A' ' 95' ' ' HEM . 11.9 t80 -71.85 -39.67 69.55 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 110.987 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.477 ' CG ' ' O ' ' A' ' 55' ' ' THR . 2.2 pp20? -82.6 -15.1 53.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -57.95 -52.45 65.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.155 . . . . 0.0 109.259 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.586 HG12 ' CE1' ' A' ' 63' ' ' HIS . 0.5 OUTLIER -66.76 -16.99 21.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.333 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.28 80.52 0.19 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.622 ' CE1' ' CD1' ' A' ' 58' ' ' PHE . 67.3 m80 -76.41 139.42 40.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 0.773 . . . . 0.0 109.578 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.418 ' O ' ' HB ' ' A' ' 67' ' ' VAL . 3.4 t -68.33 157.86 34.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.002 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 69.9 p -55.8 -17.24 5.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.412 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -73.32 -17.43 61.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.548 HG23 ' CD2' ' A' ' 63' ' ' HIS . 0.4 OUTLIER -69.96 -29.8 41.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.415 1.072 . . . . 0.0 109.357 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.1 tpp180 -64.04 -37.69 88.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -95.88 27.56 3.5 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 0.0 110.324 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.61 -57.6 2.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.351 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.4 p -94.54 70.88 3.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 110.021 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -81.24 -56.75 3.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.9 m -72.63 -45.39 59.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.39 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.478 ' O ' ' C ' ' A' ' 75' ' ' ILE . 20.1 m-85 -50.58 -43.76 56.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 110.949 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.561 ' CD1' ' CZ ' ' A' ' 30' ' ' TYR . 0.7 OUTLIER -33.87 139.87 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.595 HD12 ' CE1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -105.43 -49.39 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.418 ' N ' ' CG1' ' A' ' 76' ' ' ILE . . . 163.0 -112.8 0.53 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.538 1.149 . . . . 0.0 110.945 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -164.31 119.37 1.48 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 0.747 . . . . 0.0 110.298 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.524 HD21 ' N ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -52.07 157.73 1.25 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.524 ' N ' HD21 ' A' ' 79' ' ' LEU . 5.1 t-80 -33.98 141.66 0.23 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.632 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.446 ' HD2' ' CG ' ' A' ' 80' ' ' HIS . 18.4 Cg_endo -75.02 -30.39 7.19 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.493 1.786 . . . . 0.0 110.991 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.419 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 2.0 t0 -70.47 -47.08 62.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.543 1.152 . . . . 0.0 109.237 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.2 -34.0 77.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.417 ' HD3' ' N ' ' A' ' 85' ' ' SER . 0.0 OUTLIER -60.02 -37.74 80.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.265 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.417 ' N ' ' HD3' ' A' ' 84' ' ' ARG . 41.0 t -77.48 -12.68 59.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.984 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.1 mtpt -93.53 -13.96 27.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.414 ' O ' HG21 ' A' ' 87' ' ' ILE . 33.4 mt -71.23 -4.54 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.348 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.961 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' HEM . . . . . 1.519 HMA3 ' CMA' ' A' ' 95' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.47 ' CG2' ' HA3' ' A' ' 77' ' ' GLY . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.628 ' O ' ' CE2' ' A' ' 7' ' ' TYR . 1.3 ttpt -86.31 120.37 27.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -74.11 58.3 0.69 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.435 1.084 . . . . 0.0 110.967 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.628 ' CE2' ' O ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -64.14 129.81 41.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.993 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 10' ' ' GLU . 44.9 p -78.4 156.31 29.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.165 . . . . 0.0 110.382 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.537 ' N ' HD11 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -37.87 -32.03 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 8' ' ' THR . 0.4 OUTLIER -43.33 -29.97 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 110.276 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -97.75 -52.63 3.68 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.44 1.087 . . . . 0.0 110.287 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.517 ' HA ' ' CZ3' ' A' ' 22' ' ' TRP . 3.6 mp -53.31 -38.92 33.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.418 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 5.1 pt20 -72.86 -27.64 62.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.05 -6.02 39.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.221 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.663 ' ND1' ' CZ2' ' A' ' 22' ' ' TRP . 10.7 m-70 -118.52 59.81 0.81 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.599 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.38 64.05 0.61 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.543 1.152 . . . . 0.0 109.331 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -149.99 165.56 32.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.235 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 76.6 p -61.24 -36.18 79.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.94 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.6 -49.88 71.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.582 1.176 . . . . 0.0 109.32 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.99 105.95 7.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.968 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.482 HG23 ' CD1' ' A' ' 36' ' ' LEU . 0.4 OUTLIER -141.4 128.83 21.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.442 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.663 ' CZ2' ' ND1' ' A' ' 15' ' ' HIS . 1.9 m0 -125.41 -175.02 3.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 107.979 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.439 HG22 ' CD2' ' A' ' 25' ' ' LEU . 10.6 m -157.16 110.26 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.417 ' HA ' ' HA ' ' A' ' 29' ' ' VAL . 1.3 pp -69.78 94.71 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.438 1.086 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.471 ' CB ' ' HB ' ' A' ' 55' ' ' THR . 2.9 pp -117.94 142.91 46.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.2 m170 53.51 32.78 14.8 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.538 1.149 . . . . 0.0 109.631 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.534 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 19.1 t-160 69.41 7.62 6.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.566 1.166 . . . . 0.0 109.613 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.442 ' O ' ' O ' ' A' ' 25' ' ' LEU . 4.8 mttm -126.63 122.64 35.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.324 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.552 HG13 ' CD1' ' A' ' 76' ' ' ILE . 2.8 p -85.01 139.1 17.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.599 ' CE2' HD13 ' A' ' 75' ' ' ILE . 4.3 m-85 -120.35 130.03 54.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 111.018 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.479 ' CB ' HG23 ' A' ' 76' ' ' ILE . 6.0 t0 -88.22 85.09 6.87 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.477 ' N ' HD21 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -94.39 20.47 8.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -67.29 -16.22 64.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 110.438 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -90.22 -52.48 4.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.582 ' CZ ' ' HB2' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -83.13 6.35 19.49 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.482 ' CD1' HG23 ' A' ' 21' ' ' THR . 0.2 OUTLIER -54.36 -37.76 65.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.241 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -82.99 -20.07 35.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.303 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -84.61 -9.93 57.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.295 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.59 ' CE1' ' HA3' ' A' ' 41' ' ' GLY . 33.3 t-80 -82.81 132.59 50.98 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.635 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.585 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.4 Cg_endo -74.91 -17.04 20.1 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.552 1.817 . . . . 0.0 111.019 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.59 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -54.64 -80.72 0.07 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.519 1.137 . . . . 0.0 111.029 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.484 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -173.93 -167.89 34.15 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 16.0 tt0 -121.91 -13.65 8.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 0.763 . . . . 0.0 110.296 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -117.22 -1.25 11.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.484 ' CG1' ' HA3' ' A' ' 42' ' ' GLY . 0.2 OUTLIER -100.45 -32.85 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.463 HD22 ' CE1' ' A' ' 39' ' ' HIS . 6.3 mt -70.04 -47.14 63.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.414 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 0.3 OUTLIER -75.61 -27.92 58.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.273 -179.91 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.4 ' HB2' ' HA ' ' A' ' 45' ' ' VAL . 0.3 OUTLIER -44.99 -35.09 2.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.563 1.165 . . . . 0.0 110.298 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -115.06 29.98 7.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.581 1.175 . . . . 0.0 110.365 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.41 ' CB ' ' HA ' ' A' ' 47' ' ' ARG . . . -99.29 67.63 1.58 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.09 -37.03 0.03 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.458 1.099 . . . . 0.0 111.022 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.408 ' O ' ' CG1' ' A' ' 24' ' ' ILE . . . -118.23 -121.22 3.07 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.504 ' CG ' HG21 ' A' ' 55' ' ' THR . 11.6 t70 -109.85 115.67 30.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 0.754 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -105.36 -21.24 13.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.346 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.504 HG21 ' CG ' ' A' ' 53' ' ' ASP . 0.3 OUTLIER -49.54 -21.9 1.1 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 110.42 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.462 ' HG3' ' N ' ' A' ' 57' ' ' ASN . 1.0 OUTLIER -80.55 -36.04 33.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 110.249 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.462 ' N ' ' HG3' ' A' ' 56' ' ' GLU . 5.0 m-20 -90.2 -28.08 19.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.687 ' CD1' ' CE1' ' A' ' 63' ' ' HIS . 10.6 t80 -71.78 -39.23 70.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.418 1.074 . . . . 0.0 110.979 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.434 ' CG ' ' O ' ' A' ' 55' ' ' THR . 2.4 pp20? -79.38 -18.73 51.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.269 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.4 ' HB3' ' O ' ' A' ' 57' ' ' ASN . 12.8 t70 -52.0 -54.44 29.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.615 HG12 ' CE1' ' A' ' 63' ' ' HIS . 0.5 OUTLIER -63.83 -19.09 23.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 72.58 78.62 0.5 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.547 1.154 . . . . 0.0 111.025 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.687 ' CE1' ' CD1' ' A' ' 58' ' ' PHE . 58.2 m80 -77.66 135.51 38.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 0.784 . . . . 0.0 109.591 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.481 ' O ' ' HB ' ' A' ' 67' ' ' VAL . 23.5 t -80.39 156.39 26.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.951 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 94.7 m -50.55 -17.46 0.51 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.399 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.429 ' N ' ' C ' ' A' ' 64' ' ' SER . 1.0 OUTLIER -67.09 -9.8 43.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.247 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.629 ' CG2' ' CHB' ' A' ' 95' ' ' HEM . 0.5 OUTLIER -77.05 -33.87 21.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.306 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.427 ' N ' HG13 ' A' ' 67' ' ' VAL . 60.6 ttt-85 -54.59 -41.2 69.61 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.513 1.133 . . . . 0.0 110.227 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.41 ' HG2' ' N ' ' A' ' 70' ' ' LEU . 4.2 pt-20 -59.7 -31.33 69.49 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.52 1.138 . . . . 0.0 110.265 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.41 ' N ' ' HG2' ' A' ' 69' ' ' GLU . 2.8 mm? -71.38 -45.95 61.56 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.544 1.153 . . . . 0.0 109.348 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.18 75.92 10.14 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.468 1.105 . . . . 0.0 109.921 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -118.37 -50.82 2.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.343 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -99.2 -20.17 16.75 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 110.417 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -86.04 40.43 0.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 111.065 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.599 HD13 ' CE2' ' A' ' 30' ' ' TYR . 1.4 mm -110.6 154.26 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 109.301 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.552 ' CD1' HG13 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -122.88 -42.34 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.583 1.177 . . . . 0.0 109.253 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.47 ' HA3' ' CG2' ' A' ' 4' ' ' VAL . . . 150.63 -114.51 0.65 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.498 1.124 . . . . 0.0 111.035 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -164.08 119.67 1.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.772 . . . . 0.0 110.274 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.509 ' HA ' ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -58.95 162.97 3.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.57 1.169 . . . . 0.0 109.299 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.597 ' CE1' ' HB2' ' A' ' 82' ' ' ASP . 4.7 t-80 -40.15 143.42 0.62 Allowed Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.557 1.16 . . . . 0.0 109.629 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.54 ' HD2' ' CG ' ' A' ' 80' ' ' HIS . 18.2 Cg_endo -75.05 -35.47 3.08 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.601 1.843 . . . . 0.0 111.015 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.597 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 1.1 m-20 -70.56 -38.95 74.21 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -76.62 -20.57 56.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.263 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.491 ' HG3' ' CD2' ' A' ' 27' ' ' HIS . 0.0 OUTLIER -72.13 -31.55 66.1 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.116 . . . . 0.0 110.327 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.11 -5.06 55.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.157 . . . . 0.0 109.987 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.4 -37.07 44.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.595 1.184 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.422 ' O ' ' C ' ' A' ' 88' ' ' ALA . 20.7 mt -69.21 -15.17 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 87' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.253 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' HEM . . . . . 1.527 HMA3 ' CMA' ' A' ' 95' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.443 HG12 ' N ' ' A' ' 5' ' ' LYS . 2.2 t . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.608 ' O ' ' CZ ' ' A' ' 7' ' ' TYR . 0.1 OUTLIER -105.36 136.26 45.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -87.11 93.25 9.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.971 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.608 ' CZ ' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -103.62 129.89 50.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 110.998 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.404 ' C ' ' N ' ' A' ' 10' ' ' GLU . 69.1 p -77.29 158.98 29.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.421 1.075 . . . . 0.0 110.371 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.489 ' CD1' HD22 ' A' ' 79' ' ' LEU . 2.2 mp -41.0 -32.53 0.24 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.514 1.134 . . . . 0.0 109.36 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.404 ' N ' ' C ' ' A' ' 8' ' ' THR . 2.8 tt0 -47.29 -22.92 0.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.567 ' O ' ' CD2' ' A' ' 15' ' ' HIS . 9.7 mm-40 -97.29 -56.03 2.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 110.296 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.7 mp -54.06 -38.53 38.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 56.3 mm-40 -58.36 -44.28 88.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.282 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.3 -9.39 58.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.077 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.797 ' CD2' ' CH2' ' A' ' 22' ' ' TRP . 90.5 m-70 -97.51 36.27 1.52 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.619 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.29 44.73 1.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.289 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -118.71 169.96 9.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.95 63.46 6.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 110.012 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -170.22 -41.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.614 1.196 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.46 ' O ' ' O ' ' A' ' 15' ' ' HIS . 0.3 OUTLIER -135.04 68.91 1.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.989 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.499 ' CG2' ' HB2' ' A' ' 50' ' ' ALA . 1.3 m -102.24 116.73 33.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 110.431 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.797 ' CH2' ' CD2' ' A' ' 15' ' ' HIS . 6.8 m0 -108.18 -173.8 2.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 108.063 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.443 ' CG1' ' O ' ' A' ' 22' ' ' TRP . 2.9 m -160.13 107.36 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.516 ' CD1' ' HG ' ' A' ' 79' ' ' LEU . 1.1 tt -65.16 130.49 30.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.346 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.59 HD12 ' CE1' ' A' ' 30' ' ' TYR . 4.0 pp -151.35 118.01 5.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 67.92 35.81 3.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 0.0 109.614 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.559 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 3.1 t-80 68.06 6.82 5.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.584 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.41 ' HD3' ' N ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -120.13 112.93 19.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 109.328 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.562 HG13 ' CD1' ' A' ' 76' ' ' ILE . 6.2 p -83.83 139.48 17.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.59 ' CE1' HD12 ' A' ' 25' ' ' LEU . 4.9 m-85 -118.69 141.58 48.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.555 1.159 . . . . 0.0 110.982 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.552 ' N ' ' CG2' ' A' ' 76' ' ' ILE . 3.2 t0 -99.04 87.55 3.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.255 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.514 HD23 ' CBB' ' A' ' 95' ' ' HEM . 0.1 OUTLIER -102.88 32.65 3.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.103 . . . . 0.0 109.248 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.496 HG22 ' N ' ' A' ' 21' ' ' THR . 1.2 p -75.75 -19.21 59.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.404 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.02 -51.69 5.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.614 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -83.07 7.49 15.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 111.014 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.93 -40.34 72.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.06 -19.85 39.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 110.292 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -85.32 -6.04 59.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.56 1.162 . . . . 0.0 110.284 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.601 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 26.1 t-80 -85.32 130.26 52.36 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.586 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.601 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.2 Cg_endo -75.01 0.29 9.09 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.513 1.796 . . . . 0.0 111.039 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.581 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -73.31 -80.26 0.45 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.472 1.108 . . . . 0.0 110.998 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.474 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.19 -168.43 35.05 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.427 ' O ' ' CG ' ' A' ' 43' ' ' GLU . 12.6 tt0 -121.83 -11.54 8.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 0.783 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.547 ' O ' ' CG ' ' A' ' 44' ' ' GLU . 5.2 tt0 -119.12 -2.41 10.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.474 ' CG1' ' HA3' ' A' ' 42' ' ' GLY . 0.2 OUTLIER -100.09 -29.09 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.328 179.923 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.431 HD22 ' ND1' ' A' ' 39' ' ' HIS . 1.7 mt -76.17 -34.5 59.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.482 ' HA ' ' CG2' ' A' ' 21' ' ' THR . 5.5 ptm180 -88.38 -24.67 23.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.413 1.071 . . . . 0.0 110.302 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -47.06 -23.79 0.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.21 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.406 ' N ' ' C ' ' A' ' 47' ' ' ARG . 93.9 mm-40 -121.64 33.92 5.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 110.349 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.499 ' HB2' ' CG2' ' A' ' 21' ' ' THR . . . -88.92 49.46 1.79 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 109.336 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.44 -32.78 0.02 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.571 1.169 . . . . 0.0 111.063 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.497 ' O ' ' CG2' ' A' ' 24' ' ' ILE . . . -108.02 -137.7 8.34 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.42 ' HA ' HG21 ' A' ' 24' ' ' ILE . 6.6 p-10 -109.71 119.36 39.15 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 0.761 . . . . 0.0 109.276 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -95.91 -17.46 21.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.501 ' HA ' ' HB3' ' A' ' 58' ' ' PHE . 0.5 OUTLIER -49.65 -35.93 23.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.405 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.63 -47.82 82.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.312 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.458 ' CB ' HBC2 ' A' ' 95' ' ' HEM . 90.2 m-20 -78.46 -35.49 46.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.113 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.569 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 0.7 OUTLIER -65.89 -39.52 90.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 111.038 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.414 ' CD ' ' C ' ' A' ' 59' ' ' GLU . 1.8 pp20? -80.3 -19.98 45.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 110.374 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.17 -56.17 16.66 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.484 1.115 . . . . 0.0 109.353 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -59.99 -19.58 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.09 . . . . 0.0 109.313 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.95 78.23 0.3 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.461 1.101 . . . . 0.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.465 ' ND1' ' O ' ' A' ' 58' ' ' PHE . 53.8 m80 -71.44 140.08 49.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 0.771 . . . . 0.0 109.551 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.415 ' O ' ' HB ' ' A' ' 67' ' ' VAL . 0.4 OUTLIER -62.35 159.19 15.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.117 . . . . 0.0 109.966 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 52.0 m -68.57 -7.14 29.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.346 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.413 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 27.5 m-20 -93.39 7.77 43.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.422 1.076 . . . . 0.0 109.233 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.649 ' CG2' ' CHB' ' A' ' 95' ' ' HEM . 0.4 OUTLIER -89.16 -33.63 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.42 -35.19 67.55 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.438 1.086 . . . . 0.0 110.307 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 66' ' ' ASP . 6.2 pt-20 -82.17 -26.99 32.93 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.105 . . . . 0.0 110.257 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.401 ' CD2' ' O ' ' A' ' 66' ' ' ASP . 0.9 OUTLIER -52.67 -70.99 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 109.246 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 57.5 p -72.91 59.22 0.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.995 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.37 -45.6 11.74 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.589 1.18 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.7 m -93.69 -10.69 33.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.36 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 18.3 m-30 -90.88 18.26 6.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 111.032 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.583 HD12 ' CD2' ' A' ' 30' ' ' TYR . 1.5 mm -88.48 151.31 3.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.562 ' CD1' HG13 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -118.66 -43.61 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.339 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 149.59 -116.6 0.8 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.489 1.118 . . . . 0.0 110.961 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -165.43 119.64 1.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 0.777 . . . . 0.0 110.25 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.542 ' HB2' ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -50.06 159.06 0.46 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.526 ' N ' HD21 ' A' ' 79' ' ' LEU . 3.4 t-80 -34.93 140.26 0.3 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.465 1.103 . . . . 0.0 109.562 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.406 ' HD2' ' CG ' ' A' ' 80' ' ' HIS . 18.2 Cg_endo -75.08 -24.01 13.1 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.427 1.751 . . . . 0.0 110.925 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.441 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 0.9 OUTLIER -76.9 -40.48 47.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.095 . . . . 0.0 109.3 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.433 ' HB2' ' CD2' ' A' ' 79' ' ' LEU . 1.2 m-20 -75.2 -26.11 58.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.75 -32.87 74.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.288 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.412 ' O ' ' HB2' ' A' ' 88' ' ' ALA . 10.7 t -84.64 -11.15 56.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.17 . . . . 0.0 110.031 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 6.5 mttp -74.73 -35.28 62.67 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.466 ' O ' ' C ' ' A' ' 88' ' ' ALA . 9.3 mt -62.17 -14.66 12.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.466 ' C ' ' O ' ' A' ' 87' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.358 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' HEM . . . . . 1.535 HMA3 ' CMA' ' A' ' 95' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.464 ' CG2' ' HA3' ' A' ' 77' ' ' GLY . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.635 ' O ' ' CE2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -87.8 131.16 34.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.295 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -86.6 86.91 7.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 111.029 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.635 ' CE2' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -94.78 129.81 41.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.978 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.438 ' C ' ' N ' ' A' ' 10' ' ' GLU . 39.7 p -75.57 156.33 35.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.411 1.07 . . . . 0.0 110.443 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.575 ' CD1' ' OD1' ' A' ' 83' ' ' ASP . 0.2 OUTLIER -43.4 -26.24 0.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.432 1.082 . . . . 0.0 109.278 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.438 ' N ' ' C ' ' A' ' 8' ' ' THR . 3.8 tt0 -47.09 -29.76 2.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.634 ' O ' ' CD2' ' A' ' 15' ' ' HIS . 14.1 mm-40 -96.34 -53.95 3.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.274 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.3 mp -53.48 -39.12 35.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -68.36 -36.51 79.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 110.273 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -75.04 -9.57 58.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.808 ' CD2' ' CH2' ' A' ' 22' ' ' TRP . 93.4 m-70 -100.92 55.23 0.85 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.587 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -110.09 54.98 0.65 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -138.24 151.63 47.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 48.8 p -51.96 -31.65 30.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.002 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.9 ptmt -71.1 -38.61 72.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.603 1.189 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.2 102.52 4.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.569 1.168 . . . . 0.0 109.967 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.458 ' CG2' ' HB2' ' A' ' 50' ' ' ALA . 2.3 m -139.99 117.67 11.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.414 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.808 ' CH2' ' CD2' ' A' ' 15' ' ' HIS . 0.8 OUTLIER -124.68 178.48 5.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 107.909 -179.933 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.426 ' HB ' ' CB ' ' A' ' 54' ' ' ALA . 6.2 m -153.64 111.02 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.614 1.196 . . . . 0.0 109.267 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.435 ' HA ' ' HA ' ' A' ' 29' ' ' VAL . 1.4 pp -63.38 102.89 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.454 ' O ' ' O ' ' A' ' 28' ' ' LYS . 2.8 pp -133.19 132.36 41.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.474 1.109 . . . . 0.0 109.407 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.602 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 0.1 OUTLIER 70.09 29.51 3.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.585 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.602 ' CD2' ' O ' ' A' ' 26' ' ' HIS . 0.0 OUTLIER 70.19 6.14 5.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.586 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.539 ' HD2' ' CD2' ' A' ' 27' ' ' HIS . 0.1 OUTLIER -134.34 122.86 23.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.532 HG13 ' CD1' ' A' ' 76' ' ' ILE . 2.5 p -80.3 144.68 10.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.091 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.553 ' CG ' HD12 ' A' ' 75' ' ' ILE . 4.7 m-85 -119.41 133.81 55.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.949 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.467 ' CB ' HG23 ' A' ' 76' ' ' ILE . 8.3 t0 -91.97 80.34 5.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.339 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.408 ' N ' HD21 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -88.93 14.81 9.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.479 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 0.5 OUTLIER -64.71 -16.26 62.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.34 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -90.14 -51.6 5.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.113 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.62 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -87.42 11.62 14.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 111.042 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.479 ' CD1' ' HA ' ' A' ' 33' ' ' THR . 0.1 OUTLIER -61.88 -33.06 73.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -84.66 -20.74 30.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -85.21 -25.96 27.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 110.258 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.593 ' HB2' ' CZ ' ' A' ' 35' ' ' PHE . 38.1 t-80 -64.04 133.39 95.58 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.582 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.574 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.3 Cg_endo -74.96 -14.51 21.22 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.45 1.763 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.58 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -58.14 -78.75 0.12 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.454 1.096 . . . . 0.0 110.988 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.477 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.05 -163.78 28.03 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.436 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 13.5 tt0 -121.17 -15.07 8.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 0.762 . . . . 0.0 110.275 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.523 ' HA ' ' CG ' ' A' ' 47' ' ' ARG . 3.3 pm0 -115.51 -27.55 7.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 110.247 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.477 ' CG1' ' HA3' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -71.2 -30.7 41.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.426 HD22 ' ND1' ' A' ' 39' ' ' HIS . 3.8 mt -73.12 -44.01 60.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.523 ' CG ' ' HA ' ' A' ' 44' ' ' GLU . 7.8 ptm180 -82.32 -21.34 36.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.456 ' HB2' ' HA ' ' A' ' 45' ' ' VAL . 0.6 OUTLIER -45.0 -29.48 0.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.24 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 39.4 mm-40 -118.73 37.22 4.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.458 ' HB2' ' CG2' ' A' ' 21' ' ' THR . . . -99.1 68.54 1.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.17 -39.36 0.03 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.405 ' O ' ' CG1' ' A' ' 24' ' ' ILE . . . -117.85 -124.43 3.43 Favored Glycine 0 CA--C 1.531 1.061 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -109.88 115.87 30.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.573 0.808 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 58' ' ' PHE . . . -96.28 -15.37 21.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.47 ' O ' ' CG ' ' A' ' 59' ' ' GLU . 0.8 OUTLIER -49.71 -24.43 2.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.439 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -79.26 -40.81 29.62 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.517 1.136 . . . . 0.0 110.315 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -85.52 -28.21 25.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.731 ' CE1' ' C4B' ' A' ' 95' ' ' HEM . 9.8 t80 -73.16 -39.68 65.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.419 1.074 . . . . 0.0 110.971 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.47 ' CG ' ' O ' ' A' ' 55' ' ' THR . 2.4 pp20? -79.41 -15.64 57.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.337 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -54.01 -51.79 62.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.264 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.596 HG12 ' CE1' ' A' ' 63' ' ' HIS . 0.6 OUTLIER -69.0 -16.18 20.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.14 79.29 0.23 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.453 1.096 . . . . 0.0 110.929 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.689 ' CE1' ' CD1' ' A' ' 58' ' ' PHE . 64.7 m80 -74.74 140.08 43.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 0.755 . . . . 0.0 109.535 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.407 ' O ' ' HB ' ' A' ' 67' ' ' VAL . 3.7 m -71.83 170.11 14.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.017 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.5 t -65.19 -8.31 16.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.589 1.181 . . . . 0.0 110.438 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.4 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 69.2 m-20 -77.64 -13.23 59.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.53 HG21 ' CHB' ' A' ' 95' ' ' HEM . 0.8 OUTLIER -74.22 -37.37 45.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.561 1.163 . . . . 0.0 109.3 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.9 ttp85 -64.34 -28.62 69.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 66' ' ' ASP . 11.4 pt-20 -97.56 14.28 27.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.33 -66.43 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.252 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.35 84.66 7.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.962 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.92 -56.02 3.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.9 m -85.36 -28.4 25.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 110.352 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.424 ' O ' ' C ' ' A' ' 75' ' ' ILE . 22.3 m-30 -62.45 -38.39 89.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.553 HD12 ' CG ' ' A' ' 30' ' ' TYR . 1.0 OUTLIER -37.84 140.23 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.532 ' CD1' HG13 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -102.93 -47.73 10.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.241 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.464 ' HA3' ' CG2' ' A' ' 4' ' ' VAL . . . 159.31 -111.46 0.48 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.493 1.12 . . . . 0.0 111.005 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -169.11 119.4 0.71 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 0.769 . . . . 0.0 110.297 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.567 ' HB2' ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -59.69 158.59 9.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 109.264 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.486 ' N ' HD21 ' A' ' 79' ' ' LEU . 4.8 t-80 -37.03 141.77 0.39 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.616 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.586 ' O ' ' HG3' ' A' ' 84' ' ' ARG . 18.2 Cg_endo -74.9 -26.8 10.79 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.502 1.791 . . . . 0.0 110.98 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.453 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 0.6 OUTLIER -80.68 -18.84 46.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.344 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.575 ' OD1' ' CD1' ' A' ' 9' ' ' LEU . 1.8 m-20 -86.53 -43.5 12.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.356 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.586 ' HG3' ' O ' ' A' ' 81' ' ' PRO . 0.2 OUTLIER -59.66 -28.52 67.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.291 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.439 ' N ' ' HD3' ' A' ' 84' ' ' ARG . 46.8 t -86.51 -11.65 51.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 110.021 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -79.72 -31.68 41.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.415 ' O ' ' CG2' ' A' ' 87' ' ' ILE . 5.5 mm -70.66 -5.86 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.98 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' HEM . . . . . 1.515 HMA3 ' CMA' ' A' ' 95' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.435 HG12 ' N ' ' A' ' 5' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.617 ' O ' ' CE1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -84.83 141.1 30.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.416 1.073 . . . . 0.0 109.246 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -94.89 92.76 7.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.972 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.617 ' CE1' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -96.95 129.97 44.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.47 ' O ' ' C ' ' A' ' 9' ' ' LEU . 34.4 p -79.72 156.05 27.71 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.539 1.15 . . . . 0.0 110.379 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.528 ' N ' HD11 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -35.13 -36.93 0.06 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.488 1.117 . . . . 0.0 109.35 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 8' ' ' THR . 2.5 tt0 -38.9 -29.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.4 1.062 . . . . 0.0 110.311 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 9' ' ' LEU . 9.8 mm-40 -99.57 -49.7 4.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 110.267 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.436 ' N ' HD11 ' A' ' 12' ' ' ILE . 1.3 mp -54.23 -38.02 37.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -76.06 -25.93 56.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.403 1.064 . . . . 0.0 110.349 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.1 -10.5 59.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.133 . . . . 0.0 109.349 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.68 ' ND1' ' CZ2' ' A' ' 22' ' ' TRP . 13.3 m-70 -113.0 58.68 0.65 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.631 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -110.06 62.07 0.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -158.64 161.86 37.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.254 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 91.5 p -52.07 -47.43 65.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.396 1.06 . . . . 0.0 109.939 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.0 -63.62 0.89 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.254 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.5 104.45 7.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.954 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.422 ' HA ' ' O ' ' A' ' 15' ' ' HIS . 0.6 OUTLIER -136.52 124.65 23.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.367 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.68 ' CZ2' ' ND1' ' A' ' 15' ' ' HIS . 0.8 OUTLIER -124.54 178.54 5.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 108.01 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.8 m -154.56 110.64 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.085 . . . . 0.0 109.322 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.434 ' HA ' ' HA ' ' A' ' 29' ' ' VAL . 1.1 pp -60.83 130.67 25.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.53 1.144 . . . . 0.0 109.364 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.437 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 2.3 pp -165.7 130.15 2.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER 70.18 19.01 6.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.624 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 19.3 t60 69.84 36.99 1.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 109.562 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.624 ' O ' ' CD1' ' A' ' 30' ' ' TYR . 0.2 OUTLIER -164.06 94.57 0.75 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.446 1.091 . . . . 0.0 109.334 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.536 HG13 ' CD1' ' A' ' 76' ' ' ILE . 2.7 p -58.68 146.93 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.651 ' CZ ' ' CD1' ' A' ' 75' ' ' ILE . 19.9 m-85 -118.91 136.16 54.2 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.525 1.141 . . . . 0.0 111.063 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.486 ' CB ' HG23 ' A' ' 76' ' ' ILE . 6.3 t0 -91.6 78.55 5.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.436 ' N ' HD21 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -86.16 15.4 5.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.4 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 0.6 OUTLIER -64.02 -19.9 65.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 0.0 110.31 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.0 tptp -90.39 -54.93 3.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.602 ' CZ ' ' HB2' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -81.79 8.93 8.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 111.046 179.912 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.5 ' HG ' ' CD1' ' A' ' 46' ' ' LEU . 0.2 OUTLIER -51.4 -35.49 39.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -85.15 -22.74 28.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.236 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -83.29 -2.76 56.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.443 1.089 . . . . 0.0 110.246 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.63 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 30.0 t-80 -88.07 132.3 40.23 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.575 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.63 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.4 Cg_endo -75.0 -10.23 21.12 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.494 1.786 . . . . 0.0 111.015 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.6 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -65.33 -81.14 0.13 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.471 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.13 -163.96 28.37 Favored Glycine 0 CA--C 1.531 1.066 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -115.57 -17.36 11.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 0.803 . . . . 0.0 110.305 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.568 ' O ' ' N ' ' A' ' 48' ' ' GLU . 1.3 pm0 -109.6 -32.38 7.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.314 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.504 ' O ' ' HB3' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -56.85 -40.55 72.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.5 ' CD1' ' HG ' ' A' ' 36' ' ' LEU . 6.2 mt -64.89 -63.12 1.19 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.56 1.162 . . . . 0.0 109.223 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.52 ' CG ' ' HA ' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -61.85 -22.74 65.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.237 -179.933 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.568 ' N ' ' O ' ' A' ' 44' ' ' GLU . 1.2 tt0 -54.41 -32.92 58.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.286 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 67.0 mm-40 -114.46 18.69 16.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.36 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.473 ' CB ' ' HA ' ' A' ' 47' ' ' ARG . . . -86.87 68.98 10.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.16 -37.63 0.03 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.457 1.098 . . . . 0.0 111.017 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -121.55 -125.63 3.18 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.413 ' HA ' HG13 ' A' ' 24' ' ' ILE . 8.7 p-10 -109.86 118.2 35.85 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.498 0.764 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 58' ' ' PHE . . . -100.15 -14.04 18.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 109.345 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.506 ' HA ' ' HB3' ' A' ' 58' ' ' PHE . 0.7 OUTLIER -49.86 -35.56 23.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 110.36 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.11 -47.27 80.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -79.81 -30.9 40.63 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.429 1.081 . . . . 0.0 109.237 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.561 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 0.7 OUTLIER -70.44 -39.8 74.13 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.475 1.109 . . . . 0.0 110.981 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.426 ' CD ' ' C ' ' A' ' 59' ' ' GLU . 2.2 pp20? -78.03 -20.77 51.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -59.42 -55.42 34.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.446 1.091 . . . . 0.0 109.283 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.451 HG11 ' O ' ' A' ' 58' ' ' PHE . 0.9 OUTLIER -62.76 -19.54 23.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 69.42 78.61 0.34 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.505 1.128 . . . . 0.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.468 ' ND1' ' O ' ' A' ' 58' ' ' PHE . 56.0 m80 -71.02 140.16 50.71 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.464 0.743 . . . . 0.0 109.592 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 21.6 m -62.71 167.74 4.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.578 1.174 . . . . 0.0 109.973 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.1 t -75.67 -9.77 58.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.412 1.07 . . . . 0.0 110.403 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -88.14 -1.33 57.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.522 HG21 ' CHB' ' A' ' 95' ' ' HEM . 1.1 t -82.65 -38.92 15.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.22 -19.48 65.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.327 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -98.78 -24.29 15.07 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.458 1.099 . . . . 0.0 110.351 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.12 -66.6 0.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 39.1 m -79.1 69.85 5.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.959 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.5 mtpt -86.06 -48.79 8.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.7 m -84.45 -32.15 24.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 110.377 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.44 ' O ' ' C ' ' A' ' 75' ' ' ILE . 17.3 m-85 -60.63 -39.53 88.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 111.019 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.651 ' CD1' ' CZ ' ' A' ' 30' ' ' TYR . 0.8 OUTLIER -35.78 139.87 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.337 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.576 HD11 ' CE3' ' A' ' 22' ' ' TRP . 0.2 OUTLIER -102.58 -44.28 9.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.408 ' O ' ' HB2' ' A' ' 28' ' ' LYS . . . 157.14 -110.77 0.46 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.49 1.119 . . . . 0.0 110.956 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -170.16 119.48 0.6 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.42 0.718 . . . . 0.0 110.31 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.522 ' HB2' ' O ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -59.08 157.66 9.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.353 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.522 ' N ' HD21 ' A' ' 79' ' ' LEU . 4.4 t-80 -36.45 139.09 0.46 Allowed Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.502 1.126 . . . . 0.0 109.625 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -29.64 8.0 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.493 1.786 . . . . 0.0 110.984 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.427 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 0.4 OUTLIER -74.48 -31.88 62.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.436 ' OD2' HD13 ' A' ' 9' ' ' LEU . 3.4 m-20 -86.74 -17.73 32.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.438 ' O ' ' HG2' ' A' ' 84' ' ' ARG . 0.0 OUTLIER -69.81 -30.26 67.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.366 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.1 t -90.49 -11.45 40.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.977 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 28.1 mttp -84.34 -28.83 26.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 45.9 mt -61.27 -13.85 9.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 -179.986 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' HEM . . . . . 1.515 HMA3 ' CMA' ' A' ' 95' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.631 ' O ' ' CZ ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -93.7 122.62 36.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.535 ' HB3' ' CD2' ' A' ' 80' ' ' HIS . 64.0 m-85 -85.63 98.79 10.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.969 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.631 ' CZ ' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -104.89 128.74 53.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.411 1.069 . . . . 0.0 111.019 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 44.0 p -76.34 165.33 25.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.409 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.408 ' H ' ' CD1' ' A' ' 9' ' ' LEU . 6.8 mp -42.31 -32.86 0.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.32 -21.86 1.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.429 ' O ' ' CD2' ' A' ' 15' ' ' HIS . 19.5 mm-40 -98.41 -56.32 2.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.103 . . . . 0.0 110.302 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.498 ' CD1' ' HB2' ' A' ' 79' ' ' LEU . 2.7 mp -55.45 -35.64 38.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 109.286 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.411 ' OE1' ' CA ' ' A' ' 51' ' ' GLY . 11.0 mm100 -55.51 -37.02 67.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.137 . . . . 0.0 110.386 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -75.04 -15.06 60.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.804 ' CD2' ' CH2' ' A' ' 22' ' ' TRP . 84.2 m-70 -104.26 49.18 0.82 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 109.563 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.16 49.84 0.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -148.9 166.53 28.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.7 p -52.53 -46.64 66.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.032 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -43.86 -57.61 3.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.416 1.073 . . . . 0.0 109.25 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 15' ' ' HIS . 0.1 OUTLIER -139.47 102.69 4.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.09 . . . . 0.0 110.041 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -125.35 121.28 33.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 110.43 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.804 ' CH2' ' CD2' ' A' ' 15' ' ' HIS . 2.1 m0 -122.23 179.54 4.52 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.457 ' CG1' ' O ' ' A' ' 22' ' ' TRP . 30.7 m -156.63 107.2 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.407 1.067 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.501 ' O ' ' CG2' ' A' ' 24' ' ' ILE . 0.2 OUTLIER -63.79 107.54 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.598 HD12 ' CE1' ' A' ' 30' ' ' TYR . 4.3 pp -131.59 140.89 49.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.158 . . . . 0.0 109.203 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 53.78 35.33 21.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.586 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 19.4 m-70 66.66 10.48 7.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.615 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.435 ' O ' ' O ' ' A' ' 25' ' ' LEU . 24.2 mtpt -131.48 116.49 17.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.544 HG13 ' CD1' ' A' ' 76' ' ' ILE . 4.1 p -82.32 141.44 15.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.412 1.07 . . . . 0.0 109.259 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.598 ' CE1' HD12 ' A' ' 25' ' ' LEU . 4.2 m-85 -119.6 137.62 53.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.467 ' N ' ' CG2' ' A' ' 76' ' ' ILE . 9.0 t70 -92.47 81.03 4.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.358 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.502 HD23 ' CBB' ' A' ' 95' ' ' HEM . 0.1 OUTLIER -86.13 20.08 2.44 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.3 -22.64 63.78 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 0.0 110.336 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.9 tptt -89.93 -51.65 5.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.632 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -83.14 10.09 9.02 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.433 1.083 . . . . 0.0 111.044 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.505 ' HG ' ' CD1' ' A' ' 46' ' ' LEU . 0.2 OUTLIER -54.84 -43.68 73.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.137 . . . . 0.0 109.305 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.84 -23.2 49.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.3 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -81.74 -5.49 58.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 110.27 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.618 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 24.4 t-80 -88.02 130.84 44.88 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 109.512 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.618 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.2 Cg_endo -75.06 -7.14 18.84 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.499 1.789 . . . . 0.0 111.015 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.578 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -66.06 -82.71 0.11 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.45 1.094 . . . . 0.0 111.007 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.509 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.21 -164.41 29.15 Favored Glycine 0 CA--C 1.529 0.952 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.45 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 20.2 tt0 -119.71 -21.29 7.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 0.785 . . . . 0.0 110.26 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -109.94 6.65 23.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.258 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.509 ' CG1' ' HA3' ' A' ' 42' ' ' GLY . 0.2 OUTLIER -100.24 -44.05 11.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.345 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.505 ' CD1' ' HG ' ' A' ' 36' ' ' LEU . 6.5 mt -60.73 -57.22 13.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.1 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.45 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 0.4 OUTLIER -64.6 -27.31 68.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.394 1.059 . . . . 0.0 110.314 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -45.29 -29.5 1.03 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.127 . . . . 0.0 110.336 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -120.22 30.22 7.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 110.36 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.403 ' HA ' ' O ' ' A' ' 22' ' ' TRP . . . -86.98 59.99 5.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.166 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.411 ' CA ' ' OE1' ' A' ' 13' ' ' GLN . . . -169.85 -37.14 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.485 1.116 . . . . 0.0 110.924 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -110.48 -137.68 7.63 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -109.69 116.06 31.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 0.77 . . . . 0.0 109.346 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.58 -15.12 31.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.434 ' O ' ' CG ' ' A' ' 59' ' ' GLU . 0.5 OUTLIER -49.72 -27.4 4.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.43 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.57 -43.33 63.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.465 ' HB3' ' CBC' ' A' ' 95' ' ' HEM . 4.7 m120 -82.79 -32.35 27.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.531 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 1.6 t80 -69.07 -39.77 78.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 111.002 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.434 ' CG ' ' O ' ' A' ' 55' ' ' THR . 1.9 pp20? -78.57 -19.38 52.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.083 . . . . 0.0 110.303 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -64.79 -55.68 18.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.444 HG21 ' C3D' ' A' ' 95' ' ' HEM . 0.9 OUTLIER -61.69 -20.19 22.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.254 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.04 80.65 0.18 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.484 1.115 . . . . 0.0 110.931 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.442 ' CE1' HG12 ' A' ' 61' ' ' VAL . 70.2 m80 -70.3 135.18 48.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 0.77 . . . . 0.0 109.573 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.411 ' O ' ' HB ' ' A' ' 67' ' ' VAL . 0.2 OUTLIER -54.58 170.27 0.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.005 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.8 m -70.74 -25.86 63.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.334 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.33 -9.9 57.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.354 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.433 ' CG2' ' HB3' ' A' ' 63' ' ' HIS . 0.3 OUTLIER -70.58 -30.67 43.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -62.89 -36.0 81.87 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.527 1.142 . . . . 0.0 110.236 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -99.09 29.17 4.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 110.32 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.442 ' HB3' ' CMB' ' A' ' 95' ' ' HEM . 0.2 OUTLIER -97.24 -66.87 0.87 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.339 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 15.0 m -85.75 66.73 9.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.002 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.29 -51.58 11.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.9 m -87.45 -42.95 12.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 110.368 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.503 ' CE2' ' CB ' ' A' ' 35' ' ' PHE . 21.0 m-30 -44.69 -36.79 3.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 111.012 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.577 HD12 ' CG ' ' A' ' 30' ' ' TYR . 1.1 mm -39.2 140.94 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.607 1.192 . . . . 0.0 109.254 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.567 HD12 ' CE1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -105.87 -45.38 8.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 151.16 -119.87 1.04 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.514 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 1.6 pt-20 -147.64 121.22 9.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 0.794 . . . . 0.0 110.363 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.624 ' O ' ' HB2' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -42.88 -46.37 5.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 109.32 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.624 ' HB2' ' O ' ' A' ' 79' ' ' LEU . 4.8 t-80 172.32 145.38 0.16 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.61 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.555 ' HD2' ' CG ' ' A' ' 80' ' ' HIS . 18.3 Cg_endo -75.05 -28.29 9.21 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.492 1.785 . . . . 0.0 110.971 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.09 -61.55 1.95 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.43 ' HB2' ' HB3' ' A' ' 80' ' ' HIS . 1.0 OUTLIER -59.87 -18.26 43.02 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.567 1.167 . . . . 0.0 109.3 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.507 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -63.85 -33.7 76.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 0.0 110.259 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.475 ' N ' ' HD3' ' A' ' 84' ' ' ARG . 28.4 t -92.44 -9.98 39.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 110.031 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -73.94 -43.27 58.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.574 1.171 . . . . 0.0 109.29 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.406 ' O ' ' C ' ' A' ' 88' ' ' ALA . 4.1 mm -67.17 -18.12 23.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 87' ' ' ILE . . . . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.097 . . . . 0.0 109.287 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' HEM . . . . . 1.49 HMA3 ' CMA' ' A' ' 95' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.427 HG12 ' N ' ' A' ' 5' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.499 ' HB3' ' CE2' ' A' ' 7' ' ' TYR . 1.8 tttt -84.7 136.76 33.59 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.494 1.121 . . . . 0.0 109.254 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -94.19 93.83 8.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 110.975 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.566 ' CG ' ' OE2' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -102.35 129.97 48.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 110.965 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.476 ' CG2' ' HB2' ' A' ' 80' ' ' HIS . 35.8 p -80.66 162.35 24.23 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 1.091 . . . . 0.0 110.392 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.558 ' O ' ' CG ' ' A' ' 13' ' ' GLN . 1.0 OUTLIER -35.19 -43.01 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.342 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 9' ' ' LEU . 4.6 tt0 -37.3 -29.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.366 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.566 ' OE2' ' CG ' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -95.17 -53.45 3.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.341 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.468 ' CD1' ' HB3' ' A' ' 79' ' ' LEU . 28.1 mt -52.54 -34.49 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.326 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.558 ' CG ' ' O ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -81.96 -25.11 35.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.265 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.21 -13.19 60.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.471 ' ND1' ' CZ2' ' A' ' 22' ' ' TRP . 6.6 m170 -119.29 57.65 0.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.525 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.405 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 4.0 ttpp -109.76 66.54 0.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -160.08 153.51 22.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.436 ' O ' ' OG1' ' A' ' 33' ' ' THR . 0.3 OUTLIER -40.77 -54.48 2.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.1 . . . . 0.0 110.006 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 18' ' ' SER . 0.7 OUTLIER -39.62 -61.59 0.8 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.79 107.76 7.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 0.0 109.981 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.469 ' CG2' ' HB2' ' A' ' 50' ' ' ALA . 1.5 m -139.77 129.81 24.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.381 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.526 ' O ' ' CG1' ' A' ' 23' ' ' VAL . 0.3 OUTLIER -129.13 -173.41 2.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 108.018 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.526 ' CG1' ' O ' ' A' ' 22' ' ' TRP . 18.9 m -159.73 117.28 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.523 ' HA ' ' HA ' ' A' ' 29' ' ' VAL . 0.0 OUTLIER -74.6 112.49 11.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.414 1.072 . . . . 0.0 109.247 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.8 pp -126.69 119.37 26.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.084 . . . . 0.0 109.272 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 62.95 38.09 11.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.564 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.537 ' CG ' ' HG3' ' A' ' 84' ' ' ARG . 3.4 m-70 67.38 22.16 9.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.55 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.3 mmtt -135.68 108.39 7.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 109.285 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.53 HG13 ' CD1' ' A' ' 76' ' ' ILE . 4.1 p -84.55 141.35 14.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.577 ' CZ ' ' CD1' ' A' ' 75' ' ' ILE . 8.1 m-85 -124.91 132.26 53.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 111.023 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.44 ' HB2' ' CG2' ' A' ' 76' ' ' ILE . 5.3 t0 -90.23 82.04 6.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.343 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.464 ' N ' HD21 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -90.41 24.17 2.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.17 . . . . 0.0 109.321 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.436 ' OG1' ' O ' ' A' ' 18' ' ' SER . 1.2 t -69.64 -18.79 63.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.431 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.6 tptm -90.14 -54.58 3.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.269 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.591 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -81.37 10.1 6.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 0.0 111.002 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.502 ' HG ' ' CD1' ' A' ' 46' ' ' LEU . 0.2 OUTLIER -56.41 -41.8 76.92 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.44 1.087 . . . . 0.0 109.266 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.04 -28.27 54.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -81.52 -0.93 44.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.623 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 28.7 t-80 -89.65 132.16 37.68 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.668 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.623 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.2 Cg_endo -74.97 -18.39 18.85 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.489 1.784 . . . . 0.0 111.052 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.604 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -56.78 -81.9 0.06 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.462 1.101 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.18 -162.48 25.95 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.405 ' O ' ' CG ' ' A' ' 43' ' ' GLU . 10.3 tt0 -119.14 -13.44 9.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.775 . . . . 0.0 110.319 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.537 ' HA ' ' CG ' ' A' ' 47' ' ' ARG . 1.1 pm0 -113.05 -27.21 8.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.588 1.18 . . . . 0.0 110.309 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.416 ' O ' ' HB2' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -63.52 -45.18 98.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 109.333 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.594 HD22 ' CE1' ' A' ' 39' ' ' HIS . 4.3 mt -60.14 -59.26 5.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.342 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.537 ' CG ' ' HA ' ' A' ' 44' ' ' GLU . 7.2 ptm180 -64.16 -25.23 67.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.268 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 44' ' ' GLU . 0.7 OUTLIER -46.12 -30.01 1.75 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.285 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.42 ' CB ' ' HB2' ' A' ' 54' ' ' ALA . 30.5 mm-40 -116.21 31.21 6.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.312 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.469 ' HB2' ' CG2' ' A' ' 21' ' ' THR . . . -88.94 53.19 2.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.351 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.05 -34.51 0.02 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.499 ' O ' ' CG2' ' A' ' 24' ' ' ILE . . . -114.98 -133.04 5.39 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.405 ' HB2' HG21 ' A' ' 55' ' ' THR . 1.1 p-10 -109.67 121.41 45.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 0.782 . . . . 0.0 109.334 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.474 ' CB ' ' HB ' ' A' ' 23' ' ' VAL . . . -96.41 -16.34 21.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.432 ' HA ' ' HB3' ' A' ' 58' ' ' PHE . 0.5 OUTLIER -49.52 -29.96 7.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.365 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.14 -44.91 67.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.565 1.166 . . . . 0.0 110.29 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.403 ' O ' ' HB3' ' A' ' 60' ' ' ASP . 2.6 m120 -81.04 -32.19 34.2 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.545 ' CE1' ' HB2' ' A' ' 63' ' ' HIS . 1.5 t80 -69.87 -40.01 75.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 110.967 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.411 ' CG ' ' O ' ' A' ' 55' ' ' THR . 2.1 pp20? -78.2 -19.81 53.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.414 1.071 . . . . 0.0 110.276 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.403 ' HB3' ' O ' ' A' ' 57' ' ' ASN . 1.6 t70 -61.08 -53.78 52.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.367 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.437 HG12 ' CE1' ' A' ' 63' ' ' HIS . 0.7 OUTLIER -67.68 -16.22 20.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 65.51 80.88 0.14 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.492 1.12 . . . . 0.0 111.033 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.545 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 64.7 m80 -74.46 139.96 44.28 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 0.781 . . . . 0.0 109.588 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.405 ' O ' ' HB ' ' A' ' 67' ' ' VAL . 53.4 m -64.4 168.86 5.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.025 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.2 t -74.7 -11.26 60.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.427 1.079 . . . . 0.0 110.432 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -86.26 -2.43 58.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.336 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.422 ' CG2' ' CHB' ' A' ' 95' ' ' HEM . 1.2 t -84.04 -38.27 13.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -63.28 -26.87 68.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 110.346 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -91.44 -34.62 14.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.372 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -48.4 -56.91 6.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.254 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 80.0 p -81.65 72.46 8.69 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.48 1.113 . . . . 0.0 109.99 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.95 -51.92 5.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 109.247 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.3 m -80.59 -37.7 30.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.393 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -56.17 -34.8 66.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 111.019 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.577 ' CD1' ' CZ ' ' A' ' 30' ' ' TYR . 1.0 OUTLIER -42.61 140.65 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.53 ' CD1' HG13 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -104.67 -45.85 9.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.273 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 157.21 -111.0 0.47 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.453 1.095 . . . . 0.0 110.979 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -169.01 119.68 0.73 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.531 0.783 . . . . 0.0 110.257 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.57 HD22 ' N ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -53.21 159.16 1.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.269 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.57 ' N ' HD22 ' A' ' 79' ' ' LEU . 2.2 t-80 -35.26 141.27 0.29 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.414 1.071 . . . . 0.0 109.577 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.403 ' HD2' ' CG ' ' A' ' 80' ' ' HIS . 18.1 Cg_endo -75.0 -27.13 10.27 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.578 1.83 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -71.72 -48.15 49.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.402 ' HB2' ' CD2' ' A' ' 79' ' ' LEU . 1.1 m-20 -65.6 -29.86 70.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.102 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.537 ' HG3' ' CG ' ' A' ' 27' ' ' HIS . 0.0 OUTLIER -60.54 -38.2 83.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.281 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 29.3 t -72.7 -12.72 61.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.075 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -93.43 -21.43 19.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.335 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.424 HD13 ' CD2' ' A' ' 9' ' ' LEU . 20.2 mm -67.48 -7.41 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 109.232 -179.946 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' HEM . . . . . 1.539 HMA3 ' CMA' ' A' ' 95' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.682 ' HG2' ' CE2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -93.51 136.25 33.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -79.8 104.49 10.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 111.046 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.682 ' CE2' ' HG2' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -106.92 129.79 54.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.957 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.468 ' O ' ' C ' ' A' ' 9' ' ' LEU . 39.2 p -82.17 156.9 24.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 110.449 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.478 ' CD1' HD23 ' A' ' 79' ' ' LEU . 1.6 mp -35.15 -38.17 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.425 1.078 . . . . 0.0 109.346 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 8' ' ' THR . 7.8 tt0 -39.03 -29.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 110.277 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.596 ' O ' ' CD2' ' A' ' 15' ' ' HIS . 4.5 mm-40 -95.23 -54.64 3.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.269 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.413 HD13 ' HB3' ' A' ' 79' ' ' LEU . 73.8 mt -49.93 -40.07 16.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.536 1.147 . . . . 0.0 109.267 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.42 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 7.9 mm-40 -59.37 -39.69 84.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 110.318 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.8 -5.84 40.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.561 1.163 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 11' ' ' GLU . 67.9 m-70 -114.67 48.0 1.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 0.0 109.563 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.23 65.37 0.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.4 ' O ' ' OG1' ' A' ' 21' ' ' THR . 1.3 t0 -159.8 153.49 22.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.337 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.414 ' O ' ' OG1' ' A' ' 33' ' ' THR . 66.7 p -42.09 -50.45 4.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.991 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.52 -61.17 1.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.43 ' O ' ' O ' ' A' ' 15' ' ' HIS . 0.2 OUTLIER -133.5 102.59 5.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.041 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.46 ' CG2' ' HB2' ' A' ' 50' ' ' ALA . 1.3 m -132.29 117.07 17.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 110.427 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.532 ' CH2' ' CD2' ' A' ' 15' ' ' HIS . 1.5 m0 -116.82 -173.81 2.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 108.039 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.47 ' HB ' ' CB ' ' A' ' 54' ' ' ALA . 3.2 m -160.04 111.06 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.241 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.522 ' CG2' ' O ' ' A' ' 52' ' ' GLY . 0.0 OUTLIER -66.14 111.69 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 109.368 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.555 ' O ' ' O ' ' A' ' 28' ' ' LYS . 0.6 OUTLIER -143.24 150.89 39.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.52 ' O ' ' CD ' ' A' ' 28' ' ' LYS . 15.3 m-70 52.98 29.41 7.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.644 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.635 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 0.4 OUTLIER 70.15 6.62 5.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.587 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.555 ' O ' ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -135.3 119.65 17.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.142 . . . . 0.0 109.311 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.527 HG13 ' CD1' ' A' ' 76' ' ' ILE . 2.7 p -79.55 144.27 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.573 ' CD2' HD12 ' A' ' 75' ' ' ILE . 4.3 m-85 -120.91 139.72 52.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 111.028 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.509 ' N ' ' CG2' ' A' ' 76' ' ' ILE . 7.3 t70 -96.06 79.94 3.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.137 . . . . 0.0 109.354 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.516 HD23 ' CBB' ' A' ' 95' ' ' HEM . 0.2 OUTLIER -89.68 26.04 1.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.472 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 0.6 OUTLIER -72.05 -20.92 61.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.102 . . . . 0.0 110.431 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.77 -53.58 4.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.416 1.073 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.655 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -82.81 10.62 7.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 111.032 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.472 ' CD1' ' HA ' ' A' ' 33' ' ' THR . 0.2 OUTLIER -57.08 -39.14 74.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.83 -20.44 39.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.297 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -85.67 -2.28 58.03 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 110.318 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.604 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 26.5 t-80 -91.66 130.87 37.48 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.543 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.604 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.4 Cg_endo -74.91 -9.56 20.95 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.528 1.804 . . . . 0.0 111.017 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.598 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -61.06 -80.39 0.1 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.512 1.132 . . . . 0.0 111.015 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.469 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.1 -167.99 34.4 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.464 ' O ' ' CG ' ' A' ' 43' ' ' GLU . 11.3 tt0 -121.72 -9.64 8.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 0.743 . . . . 0.0 110.253 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.547 ' O ' ' CG ' ' A' ' 44' ' ' GLU . 4.2 tt0 -120.71 -2.41 9.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.209 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.469 ' CG1' ' HA3' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -99.83 -29.04 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.412 HD22 ' ND1' ' A' ' 39' ' ' HIS . 1.2 mt -77.1 -35.47 56.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 109.311 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.435 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 7.2 ptm180 -87.53 -22.71 24.7 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.131 . . . . 0.0 110.392 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -53.28 -30.13 36.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.314 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.436 ' CB ' ' HB1' ' A' ' 54' ' ' ALA . 37.3 mm-40 -100.95 9.88 41.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 110.373 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.46 ' HB2' ' CG2' ' A' ' 21' ' ' THR . . . -78.6 57.91 2.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.04 -36.85 0.03 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.461 1.101 . . . . 0.0 110.979 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.522 ' O ' ' CG2' ' A' ' 24' ' ' ILE . . . -122.7 -124.89 3.01 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.67 122.33 47.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 0.753 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.47 ' CB ' ' HB ' ' A' ' 23' ' ' VAL . . . -91.55 -18.86 23.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.413 1.07 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.499 ' HA ' ' HB3' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -49.46 -48.85 47.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.435 179.939 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -48.53 -29.04 3.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.507 ' O ' ' HB3' ' A' ' 60' ' ' ASP . 1.9 m-20 -100.01 -48.23 4.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.659 ' CE1' ' C4B' ' A' ' 95' ' ' HEM . 18.2 t80 -56.8 -39.47 74.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.143 . . . . 0.0 110.959 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.485 ' HB2' ' O ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -82.02 -23.85 35.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.273 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.507 ' HB3' ' O ' ' A' ' 57' ' ' ASN . 10.4 t70 -56.95 -58.38 8.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.574 HG12 ' CE1' ' A' ' 63' ' ' HIS . 0.4 OUTLIER -59.89 -17.18 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 65.87 79.06 0.2 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.493 1.121 . . . . 0.0 111.046 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.6 ' CE1' ' CD1' ' A' ' 58' ' ' PHE . 53.8 m80 -74.73 140.05 43.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.441 0.73 . . . . 0.0 109.698 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.51 164.05 10.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 0.0 109.977 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.3 t -73.72 -13.29 60.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.42 1.075 . . . . 0.0 110.407 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -87.2 0.57 55.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.4 ' O ' ' HB2' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -70.07 -21.99 24.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.423 1.077 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -63.39 -24.4 67.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.269 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -69.69 -30.44 68.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 67' ' ' VAL . 1.1 mm? -59.83 -72.6 0.1 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.407 1.067 . . . . 0.0 109.28 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 51.6 p -76.84 114.53 15.71 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.561 1.163 . . . . 0.0 109.923 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.95 -68.41 0.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.235 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.5 m -87.98 -23.11 23.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 110.391 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.414 ' O ' ' C ' ' A' ' 75' ' ' ILE . 18.5 m-85 -56.38 -37.28 69.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 111.008 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.573 HD12 ' CD2' ' A' ' 30' ' ' TYR . 0.8 OUTLIER -38.64 140.21 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.537 HD12 ' CE1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -99.53 -49.44 11.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.275 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.448 ' HA3' ' OH ' ' A' ' 7' ' ' TYR . . . 161.45 -111.15 0.47 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.507 1.129 . . . . 0.0 110.958 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -167.66 119.72 0.89 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 0.778 . . . . 0.0 110.269 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.537 HD22 ' N ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -59.99 157.63 12.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.328 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.537 ' N ' HD22 ' A' ' 79' ' ' LEU . 1.9 t-80 -35.99 136.97 0.49 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 0.0 109.638 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -19.55 17.84 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.548 1.815 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -79.46 -39.23 32.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.92 -27.68 54.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.6 -33.48 75.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.314 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.3 t -89.7 -3.44 58.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.975 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 33.1 mttt -88.84 -30.35 19.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.413 1.071 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 59.3 mt -65.19 -11.36 11.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.302 -180.0 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' HEM . . . . . 1.519 HMA3 ' CMA' ' A' ' 95' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.622 HG21 ' HA2' ' A' ' 77' ' ' GLY . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.238 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.528 ' O ' ' CE2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -92.69 135.04 34.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.256 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -89.73 94.63 9.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.142 . . . . 0.0 111.008 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.528 ' CE2' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -105.34 129.78 53.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.982 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.794 HG22 ' HB2' ' A' ' 80' ' ' HIS . 43.4 p -79.42 159.09 27.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.462 1.101 . . . . 0.0 110.393 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.532 ' CD1' HD23 ' A' ' 79' ' ' LEU . 2.4 mp -39.79 -33.85 0.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -46.12 -24.72 0.48 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.442 1.089 . . . . 0.0 110.308 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 14' ' ' LYS . 18.7 mm-40 -98.88 -57.52 2.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.345 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.527 HD12 ' H ' ' A' ' 12' ' ' ILE . 3.8 mp -46.55 -39.73 4.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.146 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.447 ' NE2' ' O ' ' A' ' 51' ' ' GLY . 57.2 mm-40 -55.09 -34.48 63.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 110.325 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 11' ' ' GLU . 0.6 OUTLIER -74.71 -7.55 53.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -179.902 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.593 ' CD2' ' CH2' ' A' ' 22' ' ' TRP . 90.3 m-70 -107.82 44.85 1.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.595 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.5 tttm -109.92 53.07 0.7 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.576 1.173 . . . . 0.0 109.293 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -149.88 169.71 20.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.582 1.176 . . . . 0.0 109.245 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.45 -53.86 53.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.933 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.22 -41.13 36.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 109.266 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.72 110.64 6.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.007 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.682 HG21 HD11 ' A' ' 36' ' ' LEU . 0.8 OUTLIER -141.05 116.82 10.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.43 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.698 ' O ' HG13 ' A' ' 23' ' ' VAL . 14.0 m0 -117.53 -177.84 3.33 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.536 1.148 . . . . 0.0 108.041 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.698 HG13 ' O ' ' A' ' 22' ' ' TRP . 2.9 m -160.18 102.83 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.265 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.605 HG22 ' O ' ' A' ' 52' ' ' GLY . 5.0 tt -62.01 116.27 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.231 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.593 HD12 ' O ' ' A' ' 25' ' ' LEU . 4.3 pp -137.69 122.75 19.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.255 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.437 ' O ' ' HB3' ' A' ' 27' ' ' HIS . 67.9 m-70 63.67 36.7 10.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.575 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.517 ' CG ' ' HG3' ' A' ' 84' ' ' ARG . 3.4 t60 68.58 5.01 4.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.679 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.416 ' NZ ' ' OE1' ' A' ' 78' ' ' GLU . 3.6 mptp? -118.42 114.54 23.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.929 HG13 HG12 ' A' ' 76' ' ' ILE . 7.3 p -85.52 136.9 21.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.797 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 4.0 m-85 -117.79 139.18 51.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 111.018 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.645 ' CB ' HG22 ' A' ' 76' ' ' ILE . 9.0 t0 -100.31 83.31 2.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.425 1.078 . . . . 0.0 109.255 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.578 HD21 ' CG2' ' A' ' 23' ' ' VAL . 0.1 OUTLIER -91.87 22.44 4.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.484 ' HA ' HD12 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -67.17 -19.69 65.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.589 1.181 . . . . 0.0 110.381 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.01 -54.43 4.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.614 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -80.7 7.79 9.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.945 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.682 HD11 HG21 ' A' ' 21' ' ' THR . 0.2 OUTLIER -53.98 -41.89 68.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.253 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.36 -21.75 45.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.79 -2.43 56.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.423 1.077 . . . . 0.0 110.312 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.597 ' HB2' ' CZ ' ' A' ' 35' ' ' PHE . 23.3 t-80 -91.14 129.61 43.05 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.615 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.591 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.4 Cg_endo -74.9 -1.82 11.7 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.464 1.771 . . . . 0.0 110.979 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.579 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -70.07 -79.09 0.35 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.484 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -173.88 -169.57 36.27 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.415 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 12.5 tt0 -122.28 -13.97 7.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 0.787 . . . . 0.0 110.291 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -116.95 -2.64 11.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.632 1.208 . . . . 0.0 110.279 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.607 HG22 HD23 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -100.22 -28.97 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.607 HD23 HG22 ' A' ' 45' ' ' VAL . 4.6 mt -74.81 -37.99 62.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 109.305 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.484 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 3.8 ptm180 -84.17 -25.75 29.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 110.293 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.94 -23.71 2.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.298 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 74.4 mm-40 -116.54 23.26 12.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 110.281 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.484 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -85.51 58.08 4.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.447 ' O ' ' NE2' ' A' ' 13' ' ' GLN . . . -170.41 -36.77 0.03 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.526 1.141 . . . . 0.0 111.068 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.605 ' O ' HG22 ' A' ' 24' ' ' ILE . . . -110.75 -135.19 6.84 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.471 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -109.84 120.24 41.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.568 0.805 . . . . 0.0 109.319 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.655 ' HB3' ' HB ' ' A' ' 23' ' ' VAL . . . -93.82 -16.36 24.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.362 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.44 ' HA ' ' HB3' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -49.73 -32.09 12.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.389 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.89 -45.31 74.82 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.546 1.154 . . . . 0.0 110.279 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.462 ' O ' HG12 ' A' ' 61' ' ' VAL . 7.5 m-20 -80.4 -34.02 36.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 109.274 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.572 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 0.9 OUTLIER -66.03 -39.78 90.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.963 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.404 ' CD ' ' C ' ' A' ' 59' ' ' GLU . 2.2 pp20? -79.73 -21.9 43.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.418 1.074 . . . . 0.0 110.296 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -61.91 -57.24 12.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.413 1.071 . . . . 0.0 109.317 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.462 HG12 ' O ' ' A' ' 57' ' ' ASN . 0.7 OUTLIER -59.89 -18.21 14.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.571 1.169 . . . . 0.0 109.298 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 66.63 78.59 0.24 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.46 1.1 . . . . 0.0 110.981 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.461 ' ND1' ' O ' ' A' ' 58' ' ' PHE . 47.9 m80 -73.05 139.94 46.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 0.75 . . . . 0.0 109.542 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.8 158.45 0.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.019 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 40.0 p -73.43 -13.25 61.04 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.132 . . . . 0.0 110.44 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.422 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 6.2 m-20 -95.35 13.13 26.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.258 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.431 HG11 ' HB3' ' A' ' 63' ' ' HIS . 0.3 OUTLIER -85.36 -25.88 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.409 ' CG ' ' N ' ' A' ' 69' ' ' GLU . 9.4 ptm180 -59.29 -41.99 90.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 66' ' ' ASP . 5.1 pt-20 -75.3 -21.23 58.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.426 1.079 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.32 -73.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.409 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 30.7 t -81.28 121.43 26.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.973 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.409 ' HD2' ' HA ' ' A' ' 69' ' ' GLU . 0.1 OUTLIER -138.33 -58.13 0.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.8 m -72.98 -26.12 61.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 110.371 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.42 ' O ' ' C ' ' A' ' 75' ' ' ILE . 20.8 m-85 -71.75 -36.2 70.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 111.026 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.797 HD11 ' CZ ' ' A' ' 30' ' ' TYR . 0.5 OUTLIER -37.97 150.78 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.409 1.068 . . . . 0.0 109.3 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.929 HG12 HG13 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -109.57 -45.45 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.622 ' HA2' HG21 ' A' ' 4' ' ' VAL . . . 154.88 -112.38 0.52 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.456 1.097 . . . . 0.0 111.023 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.511 ' HG2' HG11 ' A' ' 4' ' ' VAL . 4.6 pt-20 -167.03 119.46 0.95 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 0.742 . . . . 0.0 110.293 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.924 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -52.64 160.14 0.94 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.794 ' HB2' HG22 ' A' ' 8' ' ' THR . 2.0 t-80 -37.82 139.38 0.6 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.553 1.158 . . . . 0.0 109.658 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -21.51 15.85 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.416 1.745 . . . . 0.0 111.037 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -78.12 -37.63 45.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 109.331 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.69 -27.63 40.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.808 ' HB2' HD11 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -62.36 -35.31 78.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 110.223 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.0 m -83.99 -5.5 59.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 109.976 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.05 -27.94 22.87 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.527 1.142 . . . . 0.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.499 HD11 HD21 ' A' ' 9' ' ' LEU . 7.6 mm -71.65 -5.6 6.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.429 1.081 . . . . 0.0 109.204 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.411 1.07 . . . . 0.0 109.304 -179.998 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.63 HG21 ' CA ' ' A' ' 77' ' ' GLY . 1.1 t . . . . . 0 N--CA 1.452 -0.37 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.567 ' HB3' ' CE2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -88.27 134.91 33.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -90.19 91.48 8.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 110.984 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -101.95 129.67 48.28 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.482 1.114 . . . . 0.0 110.993 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.821 HG22 ' HB2' ' A' ' 80' ' ' HIS . 42.4 p -78.89 161.44 26.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.462 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.463 HD21 HD11 ' A' ' 87' ' ' ILE . 3.8 mp -39.89 -30.34 0.08 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.448 ' N ' ' C ' ' A' ' 8' ' ' THR . 1.4 tt0 -47.52 -24.11 0.78 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.161 . . . . 0.0 110.311 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -98.85 -56.95 2.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.212 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.8 mp -52.99 -32.21 18.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.41 1.069 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -59.55 -45.75 90.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 110.251 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.63 -4.55 34.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.618 ' CE1' ' CH2' ' A' ' 22' ' ' TRP . 42.1 m80 -104.84 43.5 1.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.649 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.3 ttmt -109.83 54.49 0.66 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 18' ' ' SER . 0.3 OUTLIER -146.44 146.74 30.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 17' ' ' ASP . 18.5 p -38.22 -42.66 0.71 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 110.003 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.63 -70.78 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.407 ' O ' ' O ' ' A' ' 15' ' ' HIS . 0.2 OUTLIER -123.06 97.78 5.59 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.102 . . . . 0.0 110.001 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.715 HG23 ' CB ' ' A' ' 50' ' ' ALA . 3.2 m -122.0 122.34 39.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.41 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.691 ' O ' HG13 ' A' ' 23' ' ' VAL . 1.6 m0 -122.8 -175.98 3.29 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.692 HG22 HD21 ' A' ' 32' ' ' LEU . 1.8 m -159.94 109.14 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.358 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.637 HG22 ' O ' ' A' ' 52' ' ' GLY . 0.2 OUTLIER -64.94 120.44 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.335 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.654 HD12 ' O ' ' A' ' 25' ' ' LEU . 4.3 pp -140.86 125.51 17.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 4.5 t60 59.15 42.16 19.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.543 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.568 ' HA ' HD11 ' A' ' 24' ' ' ILE . 8.7 m-70 61.87 19.68 10.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.578 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.1 mtpt -134.74 117.22 15.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.986 HG13 HG12 ' A' ' 76' ' ' ILE . 3.4 p -87.89 138.89 18.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.907 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 5.1 m-85 -120.54 131.98 54.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.59 ' CB ' HG22 ' A' ' 76' ' ' ILE . 11.6 t70 -92.59 83.44 4.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.242 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.692 HD21 HG22 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -91.51 24.62 2.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.425 ' HA ' HD12 ' A' ' 36' ' ' LEU . 0.7 OUTLIER -70.49 -22.0 62.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.382 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.1 -53.45 4.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.194 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.621 ' CZ ' ' HB2' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -79.69 5.83 12.32 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 110.96 -179.924 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.947 ' HG ' HD12 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -52.12 -37.36 53.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.377 179.93 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.38 -23.77 37.44 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.474 1.109 . . . . 0.0 110.319 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.97 -2.94 56.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.307 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 1.035 ' CD2' HD21 ' A' ' 46' ' ' LEU . 68.2 t60 -89.31 128.23 52.11 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.565 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -6.19 17.76 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.447 1.762 . . . . 0.0 111.02 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.73 -81.84 0.17 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.455 1.097 . . . . 0.0 110.991 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.502 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.2 -165.23 30.45 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.444 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 18.9 tt0 -120.72 -22.01 6.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 0.756 . . . . 0.0 110.273 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -108.26 6.52 26.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.1 . . . . 0.0 110.33 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.718 HG22 HD23 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -100.17 -45.16 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 1.035 HD21 ' CD2' ' A' ' 39' ' ' HIS . 7.8 mt -59.82 -58.58 7.96 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.104 . . . . 0.0 109.372 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.7 ' HB3' HG21 ' A' ' 21' ' ' THR . 2.5 ptm180 -63.4 -27.88 69.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.392 1.058 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.57 -25.81 1.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.264 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.487 ' O ' HG12 ' A' ' 23' ' ' VAL . 14.5 mm100 -120.23 24.28 10.5 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.458 1.099 . . . . 0.0 110.281 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.715 ' CB ' HG23 ' A' ' 21' ' ' THR . . . -84.06 60.95 6.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -169.96 -38.02 0.03 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.531 1.144 . . . . 0.0 110.994 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.637 ' O ' HG22 ' A' ' 24' ' ' ILE . . . -111.78 -135.68 6.7 Favored Glycine 0 CA--C 1.531 1.055 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.462 ' HB2' HG22 ' A' ' 55' ' ' THR . 9.1 p-10 -109.78 117.41 33.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 0.768 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -89.7 -16.72 29.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.462 HG22 ' HB2' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -49.53 -26.66 3.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.379 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.04 -41.78 61.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.421 1.076 . . . . 0.0 110.208 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.434 ' O ' HG12 ' A' ' 61' ' ' VAL . 5.5 m-20 -84.61 -32.42 23.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.559 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 1.0 OUTLIER -67.72 -39.67 84.29 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.499 1.125 . . . . 0.0 111.008 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.425 ' CG ' ' O ' ' A' ' 55' ' ' THR . 2.3 pp20? -77.68 -22.31 50.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.26 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.28 -57.58 10.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.466 1.104 . . . . 0.0 109.216 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.434 HG12 ' O ' ' A' ' 57' ' ' ASN . 0.6 OUTLIER -60.03 -18.1 15.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.1 79.07 0.23 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.513 1.133 . . . . 0.0 111.033 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.468 ' ND1' ' O ' ' A' ' 58' ' ' PHE . 52.1 m80 -74.79 139.96 43.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 0.764 . . . . 0.0 109.583 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.0 t -48.18 154.07 0.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.005 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.1 t -73.61 -26.62 60.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 110.431 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -99.55 20.66 13.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 109.32 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.419 ' CG1' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -72.11 -44.29 65.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.269 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.419 ' N ' ' CG1' ' A' ' 67' ' ' VAL . 43.8 ttp180 -38.25 -38.98 0.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.423 1.077 . . . . 0.0 110.295 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -42.88 -27.73 0.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 110.217 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.415 ' N ' ' C ' ' A' ' 68' ' ' ARG . 1.6 mm? -68.68 -72.27 0.19 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 91.5 p -65.05 93.65 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.966 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.9 tptt -113.06 -71.58 0.75 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.456 1.097 . . . . 0.0 109.227 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.3 m -82.37 -22.2 35.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.362 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -62.62 -38.75 91.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.907 HD11 ' CZ ' ' A' ' 30' ' ' TYR . 1.0 OUTLIER -39.38 139.94 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.986 HG12 HG13 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -100.37 -44.75 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.377 179.915 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.63 ' CA ' HG21 ' A' ' 4' ' ' VAL . . . 155.44 -110.1 0.43 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.512 1.133 . . . . 0.0 110.936 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -170.04 119.68 0.61 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.446 0.733 . . . . 0.0 110.308 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.891 HD11 ' HB3' ' A' ' 84' ' ' ARG . 0.0 OUTLIER -52.42 160.73 0.78 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.253 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.821 ' HB2' HG22 ' A' ' 8' ' ' THR . 2.2 t-80 -34.02 138.53 0.3 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.623 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.553 ' HA ' ' CG ' ' A' ' 84' ' ' ARG . 18.4 Cg_endo -75.0 -22.1 15.16 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.547 1.814 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.407 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 0.4 OUTLIER -80.39 -23.68 40.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.595 ' HB3' HD21 ' A' ' 79' ' ' LEU . 0.3 OUTLIER -83.85 -45.19 13.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.891 ' HB3' HD11 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -59.55 -35.62 74.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.331 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.48 ' N ' ' CD ' ' A' ' 84' ' ' ARG . 0.4 OUTLIER -76.91 -15.01 59.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.566 1.166 . . . . 0.0 110.013 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.73 -14.89 27.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.169 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.472 HG22 ' O ' ' A' ' 87' ' ' ILE . 12.8 mm -74.44 -0.68 2.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.259 -179.932 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.609 HG21 ' CA ' ' A' ' 77' ' ' GLY . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.564 ' HB3' ' CE2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -86.42 138.86 31.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.427 ' CG ' ' HD3' ' A' ' 81' ' ' PRO . 10.2 m-85 -93.8 96.17 9.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 111.027 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.564 ' CE2' ' HB3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -105.85 129.71 53.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 111.037 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.736 HG22 ' HB2' ' A' ' 80' ' ' HIS . 44.6 p -80.05 157.33 26.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.356 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.739 HD21 ' CG1' ' A' ' 87' ' ' ILE . 3.0 mp -37.16 -33.21 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 8' ' ' THR . 1.7 tt0 -44.55 -25.08 0.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.297 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.414 ' N ' ' C ' ' A' ' 9' ' ' LEU . 24.8 mm-40 -96.87 -56.19 2.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.321 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.5 HD11 ' CB ' ' A' ' 79' ' ' LEU . 4.5 mt -50.46 -39.6 17.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 0.0 109.229 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.433 ' OE1' ' O ' ' A' ' 51' ' ' GLY . 28.1 mm100 -60.09 -40.96 91.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 110.355 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.67 -3.31 30.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.673 ' CE1' ' CH2' ' A' ' 22' ' ' TRP . 39.0 m80 -109.91 46.28 1.03 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.597 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -110.07 49.44 0.84 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 18' ' ' SER . 5.2 m-20 -144.95 147.78 33.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 17' ' ' ASP . 22.4 p -37.9 -48.5 1.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.0 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.4 -60.92 2.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.418 ' O ' ' O ' ' A' ' 15' ' ' HIS . 0.3 OUTLIER -126.49 103.11 7.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.032 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.689 HG23 ' CB ' ' A' ' 50' ' ' ALA . 22.3 m -127.84 118.97 24.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 110.368 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.707 ' O ' HG13 ' A' ' 23' ' ' VAL . 13.7 m0 -118.72 -179.14 3.71 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.707 HG13 ' O ' ' A' ' 22' ' ' TRP . 3.9 m -160.11 103.87 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.551 ' CG2' ' O ' ' A' ' 52' ' ' GLY . 0.9 OUTLIER -64.55 105.96 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.609 HD12 ' O ' ' A' ' 25' ' ' LEU . 3.9 pp -128.02 124.96 38.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 67.48 34.8 4.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.574 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.462 ' O ' ' NH2' ' A' ' 84' ' ' ARG . 7.7 m80 70.02 6.5 5.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.579 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.427 ' HG3' ' NH2' ' A' ' 84' ' ' ARG . 13.3 mttt -121.6 129.01 52.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.903 HG13 HG12 ' A' ' 76' ' ' ILE . 8.9 p -94.92 129.44 45.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.679 ' CD2' HG22 ' A' ' 75' ' ' ILE . 7.1 m-85 -117.63 127.31 53.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.61 ' HB2' HG22 ' A' ' 76' ' ' ILE . 11.4 t70 -80.02 93.19 5.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.58 HD21 ' CB ' ' A' ' 30' ' ' TYR . 1.0 OUTLIER -91.9 22.26 4.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.257 -179.922 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.572 ' HA ' HD12 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -78.25 -21.65 49.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.135 . . . . 0.0 110.46 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -90.16 -54.51 3.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.662 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -81.72 9.92 7.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.976 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.944 ' HG ' HD12 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -55.35 -46.61 76.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.402 1.064 . . . . 0.0 109.246 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.93 -24.1 60.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.55 -0.94 52.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.363 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.701 ' ND1' HD21 ' A' ' 46' ' ' LEU . 16.5 t-80 -95.05 128.2 39.9 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.554 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.612 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.3 Cg_endo -75.06 -4.6 15.62 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.518 1.799 . . . . 0.0 110.973 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.565 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -67.5 -81.32 0.18 Allowed Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.429 1.081 . . . . 0.0 110.974 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.493 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.14 -163.76 28.05 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.507 ' HA ' ' CD2' ' A' ' 36' ' ' LEU . 12.1 tt0 -121.19 -14.98 8.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 0.777 . . . . 0.0 110.3 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.505 ' HA ' ' CG ' ' A' ' 47' ' ' ARG . 0.8 OUTLIER -113.2 -20.05 11.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.29 179.925 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.493 ' CG1' ' HA3' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -70.51 -46.66 69.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.273 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.944 HD12 ' HG ' ' A' ' 36' ' ' LEU . 4.6 mt -57.85 -58.98 6.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.59 1.182 . . . . 0.0 109.274 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.743 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -61.74 -28.15 69.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 110.329 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' A' ' 44' ' ' GLU . 0.7 OUTLIER -46.3 -27.8 1.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.318 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 70.1 mm-40 -123.07 22.71 9.46 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.743 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -80.98 59.12 3.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.35 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.433 ' O ' ' OE1' ' A' ' 13' ' ' GLN . . . -170.0 -36.15 0.03 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.438 1.086 . . . . 0.0 111.037 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.551 ' O ' ' CG2' ' A' ' 24' ' ' ILE . . . -108.78 -133.02 6.76 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.451 ' O ' ' CG ' ' A' ' 56' ' ' GLU . 39.3 p-10 -109.88 117.68 34.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.415 0.715 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.455 ' HB3' ' HB ' ' A' ' 23' ' ' VAL . . . -90.28 -20.71 22.63 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -49.47 -27.36 4.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 110.408 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.451 ' CG ' ' O ' ' A' ' 53' ' ' ASP . 0.1 OUTLIER -73.18 -43.22 61.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.11 . . . . 0.0 110.355 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -83.32 -31.79 26.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.421 1.076 . . . . 0.0 109.265 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.554 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 0.7 OUTLIER -68.18 -39.57 82.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 111.073 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.401 ' CD ' ' C ' ' A' ' 59' ' ' GLU . 2.1 pp20? -78.65 -20.62 49.85 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.55 1.156 . . . . 0.0 110.292 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -62.9 -57.22 11.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.464 ' H ' HG12 ' A' ' 61' ' ' VAL . 0.5 OUTLIER -59.91 -18.73 16.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.76 77.7 0.32 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.45 1.094 . . . . 0.0 111.014 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.462 ' ND1' ' O ' ' A' ' 58' ' ' PHE . 50.5 m80 -73.31 140.14 46.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 0.741 . . . . 0.0 109.575 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 78.3 p -44.29 161.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.012 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.8 t -78.85 -10.95 59.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.443 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -99.94 9.96 42.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 70' ' ' LEU . 0.6 OUTLIER -81.29 -41.85 19.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 45.3 ttt180 -50.78 -33.76 24.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.358 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -93.38 18.85 9.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.261 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 67' ' ' VAL . 0.2 OUTLIER -96.66 -55.93 2.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.231 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.83 92.95 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.027 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.41 ' O ' ' CG1' ' A' ' 75' ' ' ILE . 0.0 OUTLIER -124.41 -38.54 2.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.0 m -94.54 -25.5 16.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 110.337 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -100.03 39.93 1.29 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.8 ' O ' HD12 ' A' ' 75' ' ' ILE . 2.0 pp -117.39 141.18 37.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.903 HG12 HG13 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -102.31 -42.39 8.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.609 ' CA ' HG21 ' A' ' 4' ' ' VAL . . . 149.35 -116.4 0.79 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.503 1.127 . . . . 0.0 110.986 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.442 ' CB ' ' NH2' ' A' ' 84' ' ' ARG . 4.9 pt-20 -157.96 119.96 3.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.477 0.751 . . . . 0.0 110.334 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.816 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -46.42 162.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.736 ' HB2' HG22 ' A' ' 8' ' ' THR . 2.7 t-80 -36.18 144.97 0.24 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.561 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.52 ' HD2' ' CG ' ' A' ' 80' ' ' HIS . 18.6 Cg_endo -74.98 -21.85 15.46 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.497 1.788 . . . . 0.0 110.964 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -77.81 -54.02 6.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.69 -9.42 36.1 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.588 ' HG3' HD11 ' A' ' 79' ' ' LEU . 7.1 ttt180 -59.67 -32.29 70.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.605 1.191 . . . . 0.0 110.336 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.401 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 23.2 t -95.73 -4.86 43.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.995 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -75.35 -41.27 56.98 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.506 1.129 . . . . 0.0 109.254 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.739 ' CG1' HD21 ' A' ' 9' ' ' LEU . 6.2 mt -65.36 -13.24 14.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.532 1.145 . . . . 0.0 109.262 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 85' ' ' SER . . . . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.656 HG21 ' CA ' ' A' ' 77' ' ' GLY . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.516 ' HB3' ' CE2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -84.9 136.76 33.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.262 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -92.61 92.3 7.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 0.0 110.97 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.522 ' O ' ' HB2' ' A' ' 79' ' ' LEU . 0.1 OUTLIER -102.21 129.62 48.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 111.032 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.755 HG22 ' CB ' ' A' ' 80' ' ' HIS . 52.2 p -81.09 164.35 22.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 110.348 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.75 HD21 HD11 ' A' ' 87' ' ' ILE . 4.2 mp -41.02 -37.13 0.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -47.78 -22.45 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 110.296 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.411 ' N ' ' C ' ' A' ' 9' ' ' LEU . 4.3 mm-40 -95.04 -54.93 3.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.14 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.403 HD12 ' H ' ' A' ' 12' ' ' ILE . 3.5 mp -58.93 -32.15 46.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -55.05 -41.43 71.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 110.272 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.32 -5.98 45.35 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.655 ' CE1' ' CH2' ' A' ' 22' ' ' TRP . 46.7 m80 -109.24 44.24 1.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.594 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.4 tttp -110.22 59.01 0.61 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 18' ' ' SER . 0.5 OUTLIER -157.63 150.26 22.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 109.263 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 17' ' ' ASP . 17.8 p -37.99 -53.9 1.33 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.977 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.34 -55.32 4.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 15' ' ' HIS . 0.2 OUTLIER -133.74 107.45 7.92 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 109.977 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.847 HG21 ' HB3' ' A' ' 47' ' ' ARG . 4.7 m -138.01 120.03 15.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.357 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.679 ' O ' HG13 ' A' ' 23' ' ' VAL . 1.7 m0 -123.5 -173.4 2.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 107.984 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 1.062 HG22 HD21 ' A' ' 32' ' ' LEU . 14.1 m -159.78 110.73 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 109.256 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.763 HG22 ' HB ' ' A' ' 29' ' ' VAL . 1.2 pp -67.82 91.7 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.636 HD11 ' CE1' ' A' ' 30' ' ' TYR . 4.3 pp -111.6 137.39 49.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 50.12 47.51 23.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.666 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.442 ' CG ' ' HG3' ' A' ' 84' ' ' ARG . 5.3 m-70 56.1 20.3 4.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.598 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 25' ' ' LEU . 25.2 mtpt -137.67 116.22 12.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.971 HG13 HG12 ' A' ' 76' ' ' ILE . 4.4 p -85.83 137.28 21.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.866 ' CE2' HD11 ' A' ' 75' ' ' ILE . 4.2 m-85 -118.06 134.09 55.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.621 ' HB2' HG22 ' A' ' 76' ' ' ILE . 25.2 t0 -88.06 83.74 6.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 1.062 HD21 HG22 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -93.1 27.0 2.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.433 ' HA ' HD12 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -75.88 -24.12 55.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.389 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.432 ' HD2' HG22 ' A' ' 33' ' ' THR . 0.0 OUTLIER -90.04 -44.19 10.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 109.333 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.626 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -89.72 7.8 34.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.952 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.469 HD12 ' O ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -55.23 -43.1 74.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.02 -22.56 49.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.269 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -82.41 -2.46 53.16 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.466 1.104 . . . . 0.0 110.303 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.603 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 28.0 t-80 -94.19 131.72 30.84 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.595 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.603 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.5 Cg_endo -75.05 -8.55 20.12 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.443 1.759 . . . . 0.0 110.999 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.553 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -63.26 -79.24 0.16 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.497 1.123 . . . . 0.0 111.027 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.465 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.22 -165.54 30.93 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.431 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 12.9 tt0 -120.69 -14.79 8.53 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.495 0.762 . . . . 0.0 110.348 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.523 ' HA ' ' CG ' ' A' ' 47' ' ' ARG . 0.7 OUTLIER -114.45 -27.12 7.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.464 1.103 . . . . 0.0 110.309 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.484 ' HA ' ' HB2' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -71.72 -34.65 52.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 0.0 109.29 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.419 HD23 ' N ' ' A' ' 46' ' ' LEU . 3.5 mt -68.91 -44.65 72.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.258 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.847 ' HB3' HG21 ' A' ' 21' ' ' THR . 3.3 ptm180 -81.19 -23.68 37.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.318 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.484 ' HB2' ' HA ' ' A' ' 45' ' ' VAL . 0.6 OUTLIER -43.56 -25.38 0.16 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.495 1.122 . . . . 0.0 110.345 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.54 ' O ' HG12 ' A' ' 23' ' ' VAL . 15.0 mm100 -125.03 43.41 3.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 110.356 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.77 ' HB2' HG23 ' A' ' 21' ' ' THR . . . -93.34 53.26 1.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.2 -35.54 0.03 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.401 1.063 . . . . 0.0 111.051 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.442 ' O ' HG13 ' A' ' 24' ' ' ILE . . . -104.74 -140.89 10.61 Favored Glycine 0 CA--C 1.531 1.056 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.79 115.17 29.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 0.79 . . . . 0.0 109.264 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.505 ' O ' ' N ' ' A' ' 58' ' ' PHE . . . -90.73 -17.68 26.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.462 ' O ' ' CG ' ' A' ' 59' ' ' GLU . 0.3 OUTLIER -49.47 -25.98 3.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 110.428 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.45 -41.81 54.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 110.316 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -85.96 -28.21 24.4 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.569 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -72.97 -39.56 66.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 110.957 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.462 ' CG ' ' O ' ' A' ' 55' ' ' THR . 2.2 pp20? -76.68 -20.36 56.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 110.251 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -58.26 -55.43 35.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.433 ' H ' HG12 ' A' ' 61' ' ' VAL . 1.2 p -63.31 -19.01 22.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.396 1.06 . . . . 0.0 109.336 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 70.55 76.83 0.51 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.446 1.091 . . . . 0.0 110.985 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.559 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 51.8 m80 -71.38 137.82 48.68 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.501 0.765 . . . . 0.0 109.598 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.7 m -48.32 155.47 0.5 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.598 1.186 . . . . 0.0 109.999 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.9 p -74.83 -23.71 58.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.424 1.077 . . . . 0.0 110.355 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -97.97 17.33 18.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 70' ' ' LEU . 1.1 p -70.27 -41.23 78.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.267 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.26 -35.14 0.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.28 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -52.12 -35.34 47.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 67' ' ' VAL . 2.9 mm? -62.0 -62.71 1.59 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.545 1.153 . . . . 0.0 109.36 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.15 57.33 0.65 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 110.011 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.42 -41.77 21.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.8 m -110.2 -8.58 14.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 110.396 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.595 ' CE2' ' HB2' ' A' ' 35' ' ' PHE . 17.6 m-85 -88.75 29.14 1.04 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.866 HD11 ' CE2' ' A' ' 30' ' ' TYR . 1.4 mm -103.36 150.44 6.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 0.0 109.288 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.971 HG12 HG13 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -115.59 -45.38 4.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.219 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.656 ' CA ' HG21 ' A' ' 4' ' ' VAL . . . 154.53 -112.63 0.53 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.43 1.081 . . . . 0.0 111.037 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -167.08 119.66 0.95 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.405 0.709 . . . . 0.0 110.31 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.933 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -54.0 155.67 3.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.755 ' CB ' HG22 ' A' ' 8' ' ' THR . 3.6 t-80 -33.14 142.67 0.18 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.62 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.465 ' HD2' ' CG ' ' A' ' 80' ' ' HIS . 18.3 Cg_endo -75.11 -36.14 2.66 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.492 1.786 . . . . 0.0 110.961 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.99 -44.58 95.63 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.538 1.149 . . . . 0.0 109.277 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.78 -36.08 77.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.343 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.817 ' HB2' HD11 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -64.41 -38.92 92.74 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.57 1.169 . . . . 0.0 110.269 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.14 -14.25 58.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.98 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -80.05 -25.29 40.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 109.362 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.75 HD11 HD21 ' A' ' 9' ' ' LEU . 20.0 mt -80.8 3.18 2.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.974 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.436 HG11 ' HG2' ' A' ' 78' ' ' GLU . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.591 ' O ' ' CE2' ' A' ' 7' ' ' TYR . 0.1 OUTLIER -90.76 131.84 36.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -88.42 94.7 9.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 111.006 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.591 ' CE2' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -103.2 129.74 50.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 111.035 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.704 HG22 ' HB2' ' A' ' 80' ' ' HIS . 59.8 p -78.45 161.25 27.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.417 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.685 HD21 HD11 ' A' ' 87' ' ' ILE . 3.8 mp -40.26 -29.8 0.09 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.562 1.164 . . . . 0.0 109.256 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.449 ' N ' ' C ' ' A' ' 8' ' ' THR . 2.2 tt0 -51.98 -19.36 1.79 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.314 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.572 ' HG3' ' CE1' ' A' ' 15' ' ' HIS . 0.6 OUTLIER -99.95 -54.82 2.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 110.373 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.4 mp -59.77 -28.51 40.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.411 ' OE1' ' CA ' ' A' ' 51' ' ' GLY . 22.1 mm100 -62.18 -43.05 99.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.55 -7.52 52.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.609 ' CE1' ' CH2' ' A' ' 22' ' ' TRP . 37.8 m80 -105.21 46.04 0.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.589 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.3 tttp -110.14 58.06 0.61 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 20' ' ' SER . 12.1 m-20 -148.78 155.3 40.76 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 75.1 p -46.5 -44.68 17.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.042 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.1 ptmt -57.99 -41.35 82.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.344 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 17' ' ' ASP . 0.9 OUTLIER -140.03 112.29 7.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.972 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.847 HG21 ' HB3' ' A' ' 47' ' ' ARG . 3.4 m -145.36 113.45 6.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.359 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.609 ' CH2' ' CE1' ' A' ' 15' ' ' HIS . 3.6 m0 -117.1 -179.03 3.58 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.911 HG22 HD21 ' A' ' 32' ' ' LEU . 10.6 m -157.02 106.64 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.557 1.161 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.594 HD13 ' C ' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -67.08 105.26 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.464 HD12 ' O ' ' A' ' 25' ' ' LEU . 3.8 pp -125.95 128.15 47.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.349 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 43.8 t60 59.33 35.54 23.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.616 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.522 ' CG ' ' HG3' ' A' ' 84' ' ' ARG . 2.1 m-70 69.96 4.93 5.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 109.607 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -121.04 110.13 15.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 1.002 HG13 HG12 ' A' ' 76' ' ' ILE . 4.3 p -86.4 137.76 20.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.257 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.961 ' CE2' HD11 ' A' ' 75' ' ' ILE . 3.4 m-85 -118.76 137.18 53.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.954 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.553 ' CB ' HG22 ' A' ' 76' ' ' ILE . 27.8 t0 -93.86 80.15 4.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.911 HD21 HG22 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -84.23 16.43 3.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.458 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 0.5 OUTLIER -63.85 -20.8 66.09 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 110.406 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.28 -53.01 4.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.582 1.176 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.678 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -85.13 12.73 7.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.978 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.468 ' HB2' ' O ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -59.04 -32.06 69.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -88.39 -18.19 28.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.429 1.081 . . . . 0.0 110.217 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.37 -4.26 59.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.304 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.62 ' HB2' ' CZ ' ' A' ' 35' ' ' PHE . 31.1 t-80 -88.79 131.46 41.46 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.591 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.61 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.3 Cg_endo -74.99 0.14 9.26 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.415 1.745 . . . . 0.0 110.967 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.583 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -74.0 -79.56 0.52 Allowed Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.564 1.165 . . . . 0.0 110.961 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.51 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.07 -163.59 27.73 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.425 ' HA ' HD23 ' A' ' 36' ' ' LEU . 18.5 tt0 -123.63 -16.88 6.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.421 0.718 . . . . 0.0 110.275 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.431 ' O ' ' OE2' ' A' ' 48' ' ' GLU . 0.2 OUTLIER -115.53 -12.16 11.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.289 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.51 ' CG1' ' HA3' ' A' ' 42' ' ' GLY . 0.2 OUTLIER -89.76 -23.49 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.6 mt -79.57 -36.74 37.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.847 ' HB3' HG21 ' A' ' 21' ' ' THR . 1.6 ptt180 -87.59 -21.97 25.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 110.285 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.431 ' OE2' ' O ' ' A' ' 44' ' ' GLU . 1.0 OUTLIER -48.25 -26.1 1.82 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 110.288 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -117.9 24.08 11.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 110.321 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.808 ' CB ' HG23 ' A' ' 21' ' ' THR . . . -86.63 62.23 7.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.575 1.172 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.411 ' CA ' ' OE1' ' A' ' 13' ' ' GLN . . . -170.07 -36.89 0.03 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.55 1.156 . . . . 0.0 111.014 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.545 ' O ' HG22 ' A' ' 24' ' ' ILE . . . -115.31 -125.61 3.97 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -109.78 121.57 45.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 0.77 . . . . 0.0 109.268 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.472 ' CB ' ' HB ' ' A' ' 23' ' ' VAL . . . -92.3 -21.83 20.07 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.583 ' HA ' ' HB3' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -49.38 -44.74 45.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.567 1.167 . . . . 0.0 110.389 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.89 -34.5 9.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.453 1.096 . . . . 0.0 110.298 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.534 ' O ' HG12 ' A' ' 61' ' ' VAL . 4.6 m-80 -100.28 -44.02 6.08 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.562 1.164 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.583 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 0.7 OUTLIER -58.52 -39.99 81.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.525 ' HB2' ' O ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -81.58 -16.66 50.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 110.35 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.453 ' HB3' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -70.83 -53.81 13.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 0.0 109.261 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.534 HG12 ' O ' ' A' ' 57' ' ' ASN . 0.8 OUTLIER -59.8 -19.37 17.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 69.24 78.22 0.36 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.488 1.117 . . . . 0.0 110.926 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.489 ' ND1' ' O ' ' A' ' 58' ' ' PHE . 49.8 m80 -73.92 140.01 45.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 0.785 . . . . 0.0 109.592 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.35 151.89 0.48 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 110.036 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 53.0 p -73.22 -26.35 61.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 110.401 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -95.51 15.7 19.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.467 HG11 ' HB3' ' A' ' 63' ' ' HIS . 1.8 p -74.65 -12.43 15.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.612 1.195 . . . . 0.0 109.328 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.08 -12.4 50.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.429 1.081 . . . . 0.0 110.354 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -87.72 -11.1 49.24 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.601 1.188 . . . . 0.0 110.296 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -78.4 -67.2 0.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.348 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.3 t -87.18 91.58 8.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 110.001 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.18 -52.16 2.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.444 HG22 ' CD1' ' A' ' 74' ' ' TYR . 0.6 OUTLIER -81.22 -27.59 35.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 110.42 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.444 ' CD1' HG22 ' A' ' 73' ' ' THR . 8.5 m-85 -76.3 2.36 13.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.937 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.961 HD11 ' CE2' ' A' ' 30' ' ' TYR . 1.3 mm -69.84 148.18 11.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.485 1.115 . . . . 0.0 109.25 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 1.002 HG12 HG13 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -113.57 -42.44 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 109.289 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 149.22 -119.49 1.06 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.42 1.075 . . . . 0.0 111.033 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.436 ' HG2' HG11 ' A' ' 4' ' ' VAL . 7.0 pt-20 -160.74 119.76 2.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 0.758 . . . . 0.0 110.346 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.865 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -52.65 161.07 0.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.704 ' HB2' HG22 ' A' ' 8' ' ' THR . 3.0 t-80 -36.49 139.1 0.46 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.586 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -21.01 16.45 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.507 1.793 . . . . 0.0 111.038 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.498 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 0.3 OUTLIER -79.08 -40.81 30.22 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.01 -32.5 67.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.758 ' HB2' HD11 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -62.56 -34.28 76.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.259 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.42 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 30.4 t -89.45 -15.48 33.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 110.009 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 8.4 mmtt -68.31 -35.45 77.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.15 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.685 HD11 HD21 ' A' ' 9' ' ' LEU . 24.1 mt -71.62 -9.1 12.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 85' ' ' SER . . . . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.607 HG21 ' CA ' ' A' ' 77' ' ' GLY . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.549 ' HB3' ' CE2' ' A' ' 7' ' ' TYR . 0.3 OUTLIER -84.21 136.53 33.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -93.6 94.87 8.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 111.035 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.549 ' CE2' ' HB3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -105.13 129.79 53.45 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.549 1.156 . . . . 0.0 110.991 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.525 HG22 ' HB2' ' A' ' 80' ' ' HIS . 42.8 p -76.62 160.0 29.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.409 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.563 ' O ' ' CG ' ' A' ' 13' ' ' GLN . 1.3 mp -35.61 -41.77 0.21 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 9' ' ' LEU . 49.9 tt0 -38.24 -28.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.48 1.113 . . . . 0.0 110.282 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.548 ' OE2' ' CG ' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -95.45 -53.15 3.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.321 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.646 HD11 ' HB3' ' A' ' 79' ' ' LEU . 34.3 mt -53.38 -34.98 23.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.563 ' CG ' ' O ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -81.96 -23.33 36.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.333 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.19 -14.68 60.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.406 1.066 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.475 ' ND1' ' CZ2' ' A' ' 22' ' ' TRP . 7.3 m170 -116.35 54.56 0.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.561 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.5 ' HG3' ' HB3' ' A' ' 50' ' ' ALA . 0.8 OUTLIER -109.11 66.88 0.64 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.122 . . . . 0.0 109.254 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 20' ' ' SER . 16.2 m-20 -150.47 157.94 43.59 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.557 1.161 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.8 t -48.43 -44.72 35.44 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.438 1.086 . . . . 0.0 110.029 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.436 ' O ' HG21 ' A' ' 33' ' ' THR . 0.0 OUTLIER -59.78 -41.56 91.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 17' ' ' ASP . 0.2 OUTLIER -140.04 115.4 9.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.988 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.84 HG21 ' HB3' ' A' ' 47' ' ' ARG . 2.2 m -150.26 126.58 10.72 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.479 1.112 . . . . 0.0 110.376 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.702 ' O ' HG13 ' A' ' 23' ' ' VAL . 1.6 m0 -124.81 -174.34 3.01 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.702 HG13 ' O ' ' A' ' 22' ' ' TRP . 3.2 m -160.05 111.69 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.607 ' CD1' HD12 ' A' ' 79' ' ' LEU . 1.1 tt -69.25 100.01 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.347 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.47 ' HG ' ' CD1' ' A' ' 30' ' ' TYR . 3.8 pp -118.94 124.77 47.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.152 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 77.0 m80 65.78 37.1 5.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.577 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 19.7 m170 66.55 12.43 8.74 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.388 1.055 . . . . 0.0 109.634 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.404 ' O ' ' CE1' ' A' ' 30' ' ' TYR . 32.0 mtpt -126.83 121.98 33.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 109.255 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.911 HG13 HG12 ' A' ' 76' ' ' ILE . 10.5 p -90.24 133.24 32.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.726 ' CD2' HG22 ' A' ' 75' ' ' ILE . 29.0 m-85 -121.46 133.54 55.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 110.988 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.559 ' CB ' HG22 ' A' ' 76' ' ' ILE . 14.3 t0 -91.44 92.14 8.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.508 HD23 ' O ' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -100.8 20.15 15.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.44 ' HB ' ' OD1' ' A' ' 31' ' ' ASP . 0.4 OUTLIER -66.58 -21.75 66.14 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.376 1.048 . . . . 0.0 110.375 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.6 tppt? -82.81 -50.88 8.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.22 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.555 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -87.91 7.21 31.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.973 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -55.34 -37.69 67.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.358 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.18 -21.85 39.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.293 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -85.81 -7.58 58.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.24 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.593 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 34.7 t-80 -83.66 133.18 47.09 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.546 1.154 . . . . 0.0 109.576 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.593 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.3 Cg_endo -75.09 -15.44 20.55 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.494 1.786 . . . . 0.0 110.999 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.583 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -56.22 -80.63 0.08 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.581 1.176 . . . . 0.0 110.984 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.489 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.05 -164.49 29.18 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.419 ' O ' ' CG ' ' A' ' 43' ' ' GLU . 7.3 tt0 -123.27 -12.81 7.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 0.753 . . . . 0.0 110.252 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -119.48 -1.55 10.68 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.517 1.136 . . . . 0.0 110.342 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.489 ' CG1' ' HA3' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -100.18 -26.96 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.403 HD23 HG22 ' A' ' 45' ' ' VAL . 1.9 mt -79.56 -33.84 41.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.421 1.076 . . . . 0.0 109.343 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.84 ' HB3' HG21 ' A' ' 21' ' ' THR . 5.2 ptm180 -91.38 -17.58 25.61 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 110.313 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -56.88 -16.47 6.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.349 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.614 ' O ' HG12 ' A' ' 23' ' ' VAL . 18.3 mm100 -121.17 30.23 6.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.241 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.822 ' HB2' HG23 ' A' ' 21' ' ' THR . . . -87.0 52.85 2.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.16 -35.46 0.03 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.584 1.178 . . . . 0.0 111.033 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.524 ' O ' ' CG2' ' A' ' 24' ' ' ILE . . . -109.93 -138.85 8.15 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -109.71 120.53 42.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.432 0.724 . . . . 0.0 109.341 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -87.7 -18.3 29.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.337 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.573 ' HA ' ' HB3' ' A' ' 58' ' ' PHE . 0.5 OUTLIER -49.47 -50.57 40.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 110.408 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -44.02 -32.97 1.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.289 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.483 ' O ' HG12 ' A' ' 61' ' ' VAL . 18.6 m-20 -99.1 -50.39 4.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.573 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 1.3 t80 -51.52 -39.87 58.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 111.031 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.456 ' HB2' ' O ' ' A' ' 55' ' ' THR . 0.2 OUTLIER -78.66 -23.66 45.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.339 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.482 ' HB3' ' O ' ' A' ' 57' ' ' ASN . 23.6 t0 -64.3 -56.48 14.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.483 HG12 ' O ' ' A' ' 57' ' ' ASN . 0.3 OUTLIER -59.9 -17.44 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 66.1 79.46 0.2 Allowed Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.528 1.142 . . . . 0.0 111.0 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.472 ' ND1' ' O ' ' A' ' 58' ' ' PHE . 56.6 m80 -75.86 138.93 41.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.421 0.718 . . . . 0.0 109.562 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.404 ' O ' ' HB ' ' A' ' 67' ' ' VAL . 2.6 m -53.64 161.01 1.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.999 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.3 m -78.65 -9.29 59.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.384 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.41 ' O ' ' CD ' ' A' ' 69' ' ' GLU . 45.5 m-20 -100.1 7.53 44.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.34 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.404 ' HB ' ' O ' ' A' ' 64' ' ' SER . 0.5 OUTLIER -74.68 -30.32 24.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.414 1.071 . . . . 0.0 109.3 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.1 ptt85 -62.08 -30.84 71.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 110.298 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.41 ' CD ' ' O ' ' A' ' 66' ' ' ASP . 5.2 pt-20 -62.49 -17.44 59.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.307 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.505 HD23 ' HA ' ' A' ' 70' ' ' LEU . 7.2 mt -89.94 -40.75 12.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.662 ' O ' HG23 ' A' ' 75' ' ' ILE . 1.0 OUTLIER -67.35 -29.5 69.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.015 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 71' ' ' SER . 1.8 mmtt -39.41 -39.69 0.71 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.6 m -87.34 -34.92 18.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 110.41 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.461 ' N ' ' O ' ' A' ' 71' ' ' SER . 5.0 m-85 -100.03 57.69 0.98 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.084 . . . . 0.0 110.989 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.726 HG22 ' CD2' ' A' ' 30' ' ' TYR . 2.2 pp -123.92 162.16 25.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.911 HG12 HG13 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -125.47 -44.45 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.607 ' CA ' HG21 ' A' ' 4' ' ' VAL . . . 153.02 -114.16 0.61 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.465 1.103 . . . . 0.0 111.017 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -165.44 119.79 1.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 0.727 . . . . 0.0 110.338 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.864 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -47.93 162.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.582 1.176 . . . . 0.0 109.314 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.573 ' N ' HD22 ' A' ' 79' ' ' LEU . 4.0 t-80 -40.58 143.42 0.68 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.105 . . . . 0.0 109.625 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.491 ' HD2' ' CG ' ' A' ' 80' ' ' HIS . 18.2 Cg_endo -75.01 -28.27 9.29 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.451 1.763 . . . . 0.0 111.018 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -71.67 -42.88 66.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.243 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.86 -30.99 66.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.314 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.702 ' HB2' HD11 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -60.17 -34.09 73.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.271 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 29.1 t -83.17 -8.95 59.42 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 109.931 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -89.35 -24.16 22.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.272 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.7 mt -61.97 -13.52 9.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.338 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 -179.972 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.744 HG21 ' CA ' ' A' ' 77' ' ' GLY . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.501 ' O ' ' CE2' ' A' ' 7' ' ' TYR . 22.3 tttt -87.7 139.28 30.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -93.13 90.93 7.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 111.04 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.501 ' CE2' ' O ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -98.57 129.7 45.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 111.036 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.53 HG22 ' HB2' ' A' ' 80' ' ' HIS . 14.9 p -78.34 155.47 30.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.409 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.695 ' CD2' HD11 ' A' ' 87' ' ' ILE . 3.2 mp -39.69 -31.92 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.428 ' N ' ' C ' ' A' ' 8' ' ' THR . 1.4 tt0 -48.62 -26.09 2.08 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.525 1.141 . . . . 0.0 110.282 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.408 ' OE1' ' HB3' ' A' ' 10' ' ' GLU . 2.7 mm-40 -97.25 -55.74 2.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.584 1.178 . . . . 0.0 110.213 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.424 HG23 ' HB2' ' A' ' 22' ' ' TRP . 3.0 mp -49.17 -38.52 11.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.408 ' OE1' ' HA ' ' A' ' 13' ' ' GLN . 37.0 mm-40 -54.46 -26.44 31.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.607 1.192 . . . . 0.0 110.332 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.13 -8.52 56.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.265 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.811 ' CE1' ' CZ2' ' A' ' 22' ' ' TRP . 36.4 m-70 -108.97 51.16 0.75 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.514 1.134 . . . . 0.0 109.598 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.5 ttpt -110.14 52.43 0.73 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -160.14 163.33 33.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.7 p -50.64 -49.83 55.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 110.006 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.86 -46.65 21.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.91 114.17 9.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.987 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.823 HG23 ' HB2' ' A' ' 50' ' ' ALA . 1.3 m -136.35 115.92 12.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.339 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.811 ' CZ2' ' CE1' ' A' ' 15' ' ' HIS . 41.2 m0 -114.56 175.42 5.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.467 1.104 . . . . 0.0 108.034 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 23' ' ' VAL . 26.6 m -157.7 99.29 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.595 ' CD1' HD12 ' A' ' 79' ' ' LEU . 4.0 tp -69.19 100.09 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.502 HD23 HG23 ' A' ' 23' ' ' VAL . 4.3 pp -118.97 136.0 54.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.549 ' O ' ' CG ' ' A' ' 27' ' ' HIS . 24.1 m-70 46.04 51.65 10.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 109.585 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.549 ' CG ' ' O ' ' A' ' 26' ' ' HIS . 21.2 p-80 53.24 28.29 7.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.624 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.44 ' HG2' ' O ' ' A' ' 26' ' ' HIS . 10.2 mmmm -140.72 109.56 6.04 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.566 1.166 . . . . 0.0 109.286 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.98 HG13 HG12 ' A' ' 76' ' ' ILE . 11.1 p -88.76 138.75 18.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 1.016 ' CE2' HD11 ' A' ' 75' ' ' ILE . 5.8 m-85 -123.96 145.45 49.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.534 1.146 . . . . 0.0 111.013 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.659 ' CB ' HG22 ' A' ' 76' ' ' ILE . 8.2 t70 -97.61 99.6 10.99 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.732 HD22 ' N ' ' A' ' 32' ' ' LEU . 0.5 OUTLIER -94.56 -3.4 49.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.423 ' HA ' HD12 ' A' ' 36' ' ' LEU . 0.4 OUTLIER -52.72 -18.43 1.82 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.597 1.186 . . . . 0.0 110.334 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -90.19 -57.02 2.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.335 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.735 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -89.41 21.16 3.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.586 1.178 . . . . 0.0 110.977 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.563 ' N ' ' O ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -60.84 -41.02 95.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.01 -18.17 40.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.338 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -86.74 -5.3 59.16 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.538 1.149 . . . . 0.0 110.241 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.6 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 25.1 t-80 -86.06 130.22 51.03 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.634 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.6 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.3 Cg_endo -75.07 -3.55 14.09 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.476 1.777 . . . . 0.0 111.007 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.599 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -67.76 -80.42 0.21 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.535 1.147 . . . . 0.0 110.965 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.455 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.08 -166.92 32.92 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.434 ' O ' ' CG ' ' A' ' 43' ' ' GLU . 7.0 tt0 -122.74 -10.88 8.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 0.749 . . . . 0.0 110.315 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.433 ' O ' ' HB2' ' A' ' 48' ' ' GLU . 9.8 pm0 -119.48 -1.89 10.62 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.522 1.139 . . . . 0.0 110.281 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.455 ' CG1' ' HA3' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -100.35 -28.67 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.404 HD23 ' N ' ' A' ' 46' ' ' LEU . 1.2 mt -77.27 -32.39 55.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.403 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -88.61 -21.47 23.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.245 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.433 ' HB2' ' O ' ' A' ' 44' ' ' GLU . 0.5 OUTLIER -63.03 -12.93 29.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 0.0 110.322 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.511 ' OE1' ' CB ' ' A' ' 57' ' ' ASN . 1.2 mt-30 -135.71 41.14 2.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.352 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.823 ' HB2' HG23 ' A' ' 21' ' ' THR . . . -104.09 60.7 0.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.418 1.074 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.26 -37.39 0.03 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.538 1.149 . . . . 0.0 110.969 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -106.26 -138.38 9.09 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.45 ' HB2' HG22 ' A' ' 55' ' ' THR . 6.9 p-10 -110.0 116.59 31.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.582 0.813 . . . . 0.0 109.275 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.508 ' O ' ' N ' ' A' ' 58' ' ' PHE . . . -92.72 -12.4 31.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.45 HG22 ' HB2' ' A' ' 53' ' ' ASP . 0.6 OUTLIER -49.45 -24.88 2.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 110.39 179.904 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.6 -43.18 39.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.164 . . . . 0.0 110.374 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.511 ' CB ' ' OE1' ' A' ' 49' ' ' GLN . 1.3 m120 -84.62 -29.28 25.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.581 ' CE1' ' HB2' ' A' ' 63' ' ' HIS . 1.1 t80 -71.04 -39.71 72.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.45 ' CG ' ' O ' ' A' ' 55' ' ' THR . 1.6 pp20? -76.66 -21.2 55.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 110.242 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -59.72 -57.42 12.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 109.347 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -62.13 -16.63 16.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 66.87 80.64 0.18 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.533 1.146 . . . . 0.0 111.015 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.581 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 59.9 m80 -73.0 140.04 47.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 0.741 . . . . 0.0 109.593 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.03 139.9 58.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 110.015 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.3 t -59.75 -15.65 21.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 110.427 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.4 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 0.4 OUTLIER -85.79 8.0 21.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.427 1.08 . . . . 0.0 109.304 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.6 p -84.9 -23.8 7.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.351 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.6 tpp85 -53.67 -27.91 30.36 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 66' ' ' ASP . 2.5 pt-20 -86.68 -26.98 24.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -55.63 -60.3 3.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.582 1.176 . . . . 0.0 109.313 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.4 p -85.32 61.82 7.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.969 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.26 -46.03 11.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.3 m -94.93 -12.72 26.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.375 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 6.5 m-30 -89.49 22.81 2.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 111.038 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 1.016 HD11 ' CE2' ' A' ' 30' ' ' TYR . 0.9 OUTLIER -94.42 148.36 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.155 . . . . 0.0 109.295 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.98 HG12 HG13 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -114.24 -41.33 3.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.744 ' CA ' HG21 ' A' ' 4' ' ' VAL . . . 150.49 -113.06 0.57 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.479 1.112 . . . . 0.0 111.076 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.485 ' HA ' HG12 ' A' ' 29' ' ' VAL . 16.9 pt-20 -170.12 119.85 0.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 0.77 . . . . 0.0 110.32 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.963 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -53.17 157.03 1.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.083 . . . . 0.0 109.286 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.531 ' N ' HD22 ' A' ' 79' ' ' LEU . 5.0 t-80 -35.92 142.35 0.3 Allowed Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 0.0 109.586 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.465 ' HD2' ' CG ' ' A' ' 80' ' ' HIS . 18.3 Cg_endo -74.98 -29.07 8.64 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.518 1.799 . . . . 0.0 110.94 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -71.73 -42.59 67.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.4 ' CG ' ' HB ' ' A' ' 8' ' ' THR . 1.5 m-20 -70.79 -32.72 69.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.343 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.826 ' HB2' HD11 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -61.35 -32.48 72.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.339 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 42.5 t -88.18 -11.45 46.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.998 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.67 -30.51 41.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.695 HD11 ' CD2' ' A' ' 9' ' ' LEU . 6.6 mm -67.96 -9.27 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.464 1.103 . . . . 0.0 109.238 179.959 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.543 HG21 ' CA ' ' A' ' 77' ' ' GLY . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.589 ' O ' ' CE2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -84.25 130.92 34.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.449 1.093 . . . . 0.0 109.315 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -89.39 94.25 9.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 111.07 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.589 ' CE2' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -99.62 129.87 45.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.973 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.549 HG22 ' HB2' ' A' ' 80' ' ' HIS . 6.9 p -80.72 157.13 25.95 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 110.398 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.874 HD21 HD11 ' A' ' 87' ' ' ILE . 2.9 mp -36.46 -34.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 8' ' ' THR . 1.7 tt0 -43.15 -25.98 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.353 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.433 ' N ' ' C ' ' A' ' 9' ' ' LEU . 12.0 mm-40 -96.85 -56.36 2.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 0.0 110.264 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.636 HD12 ' H ' ' A' ' 12' ' ' ILE . 4.8 mp -51.21 -38.28 18.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.167 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -59.35 -42.72 92.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 110.337 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.83 -6.19 47.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.662 ' CE1' ' CH2' ' A' ' 22' ' ' TRP . 35.6 m80 -106.2 45.23 0.99 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.669 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.5 ttpt -110.31 56.83 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 109.286 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.87 154.07 33.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 109.243 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.42 ' O ' ' OG1' ' A' ' 33' ' ' THR . 76.5 p -42.97 -46.41 5.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.973 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -50.09 -56.99 8.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.415 ' O ' ' O ' ' A' ' 15' ' ' HIS . 0.5 OUTLIER -130.71 110.9 11.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.001 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.871 HG23 ' HB2' ' A' ' 50' ' ' ALA . 3.2 m -143.17 118.28 10.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.339 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.662 ' CH2' ' CE1' ' A' ' 15' ' ' HIS . 1.1 m0 -124.47 -178.08 4.01 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.591 HG22 HD21 ' A' ' 32' ' ' LEU . 16.2 m -157.26 110.37 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.516 HG22 ' O ' ' A' ' 52' ' ' GLY . 4.7 tt -57.28 118.99 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.359 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.927 HD12 ' CE1' ' A' ' 30' ' ' TYR . 43.4 mt -100.16 51.79 0.9 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.475 1.11 . . . . 0.0 109.331 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.416 ' O ' ' HE3' ' A' ' 28' ' ' LYS . 0.1 OUTLIER 70.35 70.95 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.615 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.65 ' CE1' ' HA ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER 70.85 36.65 1.47 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.617 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.43 ' HE2' ' HB3' ' A' ' 28' ' ' LYS . 0.6 OUTLIER -170.34 89.07 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.92 HG13 HG12 ' A' ' 76' ' ' ILE . 3.9 p -81.22 145.86 8.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.261 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.931 ' CE2' HD11 ' A' ' 75' ' ' ILE . 5.7 m-85 -122.99 133.92 54.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 110.969 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.643 ' CB ' HG22 ' A' ' 76' ' ' ILE . 7.2 t0 -90.42 88.01 7.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.437 1.085 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.603 HD23 ' O ' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -96.65 17.07 17.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.51 ' HA ' HD12 ' A' ' 36' ' ' LEU . 0.6 OUTLIER -65.5 -18.12 65.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 110.374 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.99 -53.42 4.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.582 1.176 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.59 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -84.22 10.33 10.63 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.508 1.13 . . . . 0.0 110.962 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.51 HD12 ' HA ' ' A' ' 33' ' ' THR . 0.2 OUTLIER -55.53 -45.1 77.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.48 -23.9 53.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.603 1.19 . . . . 0.0 110.287 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -82.8 -4.91 58.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 110.309 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.584 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 33.2 t-80 -86.75 132.7 41.5 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.439 1.087 . . . . 0.0 109.58 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.584 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.5 Cg_endo -74.95 -15.18 21.02 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.443 1.76 . . . . 0.0 111.043 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.583 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -57.37 -81.19 0.07 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.447 1.092 . . . . 0.0 111.035 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.507 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.2 -165.3 30.55 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 9.9 tt0 -122.42 -13.58 8.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.564 0.802 . . . . 0.0 110.282 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -118.36 -1.03 11.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.337 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.507 ' CG1' ' HA3' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -100.05 -30.08 3.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.415 HD11 ' HB3' ' A' ' 39' ' ' HIS . 1.8 mt -75.67 -37.47 59.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.583 ' HB3' HG21 ' A' ' 21' ' ' THR . 5.4 ptm180 -86.9 -22.33 25.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.412 1.07 . . . . 0.0 110.237 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.413 ' HB2' ' HA ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -47.43 -24.79 0.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 110.283 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.465 ' O ' HG12 ' A' ' 23' ' ' VAL . 26.3 mm100 -122.35 33.74 5.37 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.093 . . . . 0.0 110.329 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.871 ' HB2' HG23 ' A' ' 21' ' ' THR . . . -84.78 52.91 2.53 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.19 -35.91 0.03 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.454 1.096 . . . . 0.0 110.977 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.516 ' O ' HG22 ' A' ' 24' ' ' ILE . . . -104.93 -142.15 11.24 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.426 ' HB2' HG22 ' A' ' 55' ' ' THR . 7.6 p-10 -110.0 118.88 37.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 0.728 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.464 ' HB3' ' HB ' ' A' ' 23' ' ' VAL . . . -94.16 -14.52 25.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.615 1.197 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.446 ' O ' ' CG ' ' A' ' 59' ' ' GLU . 0.5 OUTLIER -49.64 -27.02 4.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.575 1.172 . . . . 0.0 110.408 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.81 -45.21 62.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.41 ' O ' ' HB3' ' A' ' 60' ' ' ASP . 83.2 m-20 -83.63 -30.78 26.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.568 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -69.1 -39.5 78.93 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.41 1.069 . . . . 0.0 110.994 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.446 ' CG ' ' O ' ' A' ' 55' ' ' THR . 2.6 pp20? -76.44 -23.05 53.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.41 ' HB3' ' O ' ' A' ' 57' ' ' ASN . 3.0 t0 -59.27 -58.19 9.74 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.536 1.147 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -60.08 -19.05 17.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.61 79.68 0.23 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.458 ' ND1' ' O ' ' A' ' 58' ' ' PHE . 61.6 m80 -72.28 133.8 45.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 0.778 . . . . 0.0 109.616 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.473 ' O ' ' HB ' ' A' ' 67' ' ' VAL . 24.9 p -63.84 163.42 11.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.98 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 52.3 m -72.79 -6.57 45.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.427 1.079 . . . . 0.0 110.375 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.402 ' O ' ' CD ' ' A' ' 69' ' ' GLU . 10.4 m-20 -86.19 -7.7 58.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.473 ' HB ' ' O ' ' A' ' 64' ' ' SER . 0.7 OUTLIER -67.5 -32.27 56.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.451 ' HB3' ' NH1' ' A' ' 68' ' ' ARG . 9.8 ttp-105 -60.69 -39.23 87.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 110.326 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.521 ' HG2' HD23 ' A' ' 70' ' ' LEU . 3.2 pt-20 -54.4 -24.71 20.94 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.554 1.159 . . . . 0.0 110.337 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.521 HD23 ' HG2' ' A' ' 69' ' ' GLU . 3.2 mm? -85.06 -56.59 3.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.474 ' HB2' ' CD2' ' A' ' 30' ' ' TYR . 86.1 p -45.06 -28.77 0.75 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.137 . . . . 0.0 109.946 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.42 -34.01 0.48 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.7 m -102.56 -30.91 10.68 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.512 1.132 . . . . 0.0 110.447 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.569 ' CE2' ' CB ' ' A' ' 35' ' ' PHE . 7.2 m-85 -99.96 70.09 1.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.976 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.931 HD11 ' CE2' ' A' ' 30' ' ' TYR . 1.6 mm -138.02 151.65 25.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.92 HG12 HG13 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -122.9 -43.86 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.543 ' CA ' HG21 ' A' ' 4' ' ' VAL . . . 150.07 -115.81 0.74 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.479 1.112 . . . . 0.0 110.975 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -165.25 119.76 1.28 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 0.749 . . . . 0.0 110.293 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.847 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -48.58 162.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.583 ' N ' HD22 ' A' ' 79' ' ' LEU . 7.6 t-80 -41.84 143.01 1.01 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.62 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.65 ' HA ' ' CE1' ' A' ' 27' ' ' HIS . 18.2 Cg_endo -75.06 -29.82 7.73 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.438 1.757 . . . . 0.0 111.026 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.471 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 2.4 t0 -72.28 -39.11 68.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.432 ' CG ' ' HB ' ' A' ' 8' ' ' THR . 3.4 m-20 -77.17 -24.77 51.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.748 ' HB2' HD11 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -65.53 -33.88 76.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.324 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.421 ' N ' ' HD3' ' A' ' 84' ' ' ARG . 28.4 t -77.28 -9.79 59.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.423 1.077 . . . . 0.0 110.019 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -85.86 -27.11 25.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.428 1.08 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.874 HD11 HD21 ' A' ' 9' ' ' LEU . 11.5 mm -63.3 -12.02 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.963 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.595 HG11 ' HG2' ' A' ' 78' ' ' GLU . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.611 ' O ' ' CZ ' ' A' ' 7' ' ' TYR . 0.6 OUTLIER -94.76 136.14 35.42 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.562 1.164 . . . . 0.0 109.239 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -87.95 91.26 8.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.99 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.611 ' CZ ' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -100.22 129.79 46.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 111.015 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.563 HG22 ' HB2' ' A' ' 80' ' ' HIS . 61.9 p -76.88 155.4 32.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.444 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.589 HD23 ' CG1' ' A' ' 87' ' ' ILE . 0.0 OUTLIER -36.59 -35.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.221 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 8' ' ' THR . 3.2 tt0 -40.66 -28.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.281 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.424 ' N ' ' C ' ' A' ' 9' ' ' LEU . 17.3 mm-40 -98.93 -54.69 2.92 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 0.0 110.234 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.664 HD12 ' H ' ' A' ' 12' ' ' ILE . 4.4 mp -53.53 -37.91 32.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.41 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 11.4 pt20 -72.48 -31.42 65.38 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.113 . . . . 0.0 110.329 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.59 -4.96 40.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.397 1.061 . . . . 0.0 109.338 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.671 ' ND1' ' CZ2' ' A' ' 22' ' ' TRP . 15.8 m-70 -114.07 57.16 0.7 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.15 . . . . 0.0 109.594 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.01 55.94 0.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.346 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 20' ' ' SER . 0.2 OUTLIER -143.0 157.18 44.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 68.3 p -50.86 -42.85 59.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 110.03 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.92 -39.2 88.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 17' ' ' ASP . 0.6 OUTLIER -140.07 113.59 8.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.045 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.842 HG21 ' HB3' ' A' ' 47' ' ' ARG . 1.8 m -153.81 118.69 5.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 110.393 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.671 ' CZ2' ' ND1' ' A' ' 15' ' ' HIS . 0.4 OUTLIER -126.92 -179.99 5.11 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.031 -1.099 . . . . 0.0 108.031 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.647 ' HB ' ' HB3' ' A' ' 54' ' ' ALA . 16.1 m -153.76 114.23 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.688 HG22 ' HB ' ' A' ' 29' ' ' VAL . 1.3 pp -67.54 87.91 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.619 HD23 HG23 ' A' ' 23' ' ' VAL . 2.7 pp -114.96 130.81 57.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.529 ' O ' ' CD ' ' A' ' 28' ' ' LYS . 1.5 t60 70.11 31.92 3.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.594 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.471 ' CG ' ' O ' ' A' ' 27' ' ' HIS . 56.0 t60 67.59 7.58 5.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.602 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.529 ' CD ' ' O ' ' A' ' 26' ' ' HIS . 0.2 OUTLIER -134.76 121.28 20.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.346 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.969 HG13 HG12 ' A' ' 76' ' ' ILE . 1.7 p -78.72 151.9 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.348 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.917 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 7.6 m-85 -128.15 127.6 43.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.997 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.654 ' OD1' HG22 ' A' ' 33' ' ' THR . 6.1 t0 -87.79 77.15 8.64 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.644 HD23 ' O ' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -86.83 12.29 11.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.393 1.058 . . . . 0.0 109.305 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.654 HG22 ' OD1' ' A' ' 31' ' ' ASP . 1.2 t -61.41 -15.97 42.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 0.0 110.337 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.26 -52.73 4.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.58 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -87.54 10.26 18.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.587 1.179 . . . . 0.0 111.046 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -55.16 -41.45 71.85 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.48 1.113 . . . . 0.0 109.264 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.6 -24.89 45.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.348 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -83.46 -3.54 57.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.532 1.145 . . . . 0.0 110.335 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.606 ' CE1' ' HA3' ' A' ' 41' ' ' GLY . 32.3 t-80 -85.97 132.07 44.95 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.611 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.581 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.4 Cg_endo -74.99 -13.2 21.49 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.488 1.783 . . . . 0.0 111.033 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.606 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -59.53 -82.05 0.07 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.544 1.153 . . . . 0.0 111.033 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.451 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.15 -163.64 27.87 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.45 ' O ' ' CG ' ' A' ' 43' ' ' GLU . 8.0 tt0 -122.46 -10.69 8.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 110.275 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.402 ' O ' ' HB2' ' A' ' 48' ' ' GLU . 4.5 pm0 -121.24 -1.11 9.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 110.276 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.451 ' CG1' ' HA3' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -100.11 -25.23 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.4 mt -82.22 -33.45 29.3 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.842 ' HB3' HG21 ' A' ' 21' ' ' THR . 0.0 OUTLIER -92.49 -20.02 21.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 110.305 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.402 ' HB2' ' O ' ' A' ' 44' ' ' GLU . 1.8 tm-20 -48.88 -25.21 1.78 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.17 . . . . 0.0 110.306 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.612 ' O ' HG12 ' A' ' 23' ' ' VAL . 23.8 mm-40 -117.67 31.87 6.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.786 ' HB2' HG23 ' A' ' 21' ' ' THR . . . -88.43 60.87 5.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.26 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.13 -38.41 0.03 OUTLIER Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.44 1.087 . . . . 0.0 111.03 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -116.13 -132.07 4.94 Favored Glycine 0 CA--C 1.531 1.059 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.54 ' HB2' HG22 ' A' ' 55' ' ' THR . 4.6 p-10 -109.99 117.12 32.92 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 0.768 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.647 ' HB3' ' HB ' ' A' ' 23' ' ' VAL . . . -90.47 -9.92 45.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.54 HG22 ' HB2' ' A' ' 53' ' ' ASP . 0.1 OUTLIER -49.52 -30.0 7.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.365 1.041 . . . . 0.0 110.369 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.81 -46.12 63.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.3 m-20 -80.81 -30.66 35.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.583 1.177 . . . . 0.0 109.246 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.54 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -71.64 -39.68 70.23 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.572 1.17 . . . . 0.0 110.971 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.438 ' CG ' ' O ' ' A' ' 55' ' ' THR . 2.1 pp20? -79.85 -17.02 54.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.285 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -59.9 -53.56 56.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.447 ' CG1' ' CE1' ' A' ' 63' ' ' HIS . 0.5 OUTLIER -66.84 -17.75 23.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.376 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 65.86 78.78 0.22 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.475 1.11 . . . . 0.0 110.986 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.46 ' ND1' ' O ' ' A' ' 58' ' ' PHE . 75.2 m80 -72.49 140.06 48.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.431 0.724 . . . . 0.0 109.609 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.412 ' O ' ' HB ' ' A' ' 67' ' ' VAL . 1.6 t -63.34 169.11 3.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.565 1.166 . . . . 0.0 109.972 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.2 t -73.32 -10.91 60.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.163 . . . . 0.0 110.367 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.478 ' O ' HD23 ' A' ' 70' ' ' LEU . 2.9 m-20 -85.2 -3.77 58.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.15 . . . . 0.0 109.31 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.412 ' HB ' ' O ' ' A' ' 64' ' ' SER . 0.8 OUTLIER -80.8 -23.23 10.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 17.7 ttt-85 -72.68 -30.96 64.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.573 1.171 . . . . 0.0 110.268 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -93.11 7.89 42.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.478 HD23 ' O ' ' A' ' 66' ' ' ASP . 0.3 OUTLIER -80.77 -60.72 2.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.9 m -86.4 69.19 10.4 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.111 . . . . 0.0 109.983 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -76.86 -51.21 11.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.9 m -89.31 -37.27 15.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.42 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.488 ' O ' ' C ' ' A' ' 75' ' ' ILE . 22.5 m-30 -51.73 -46.21 63.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 111.026 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.917 HD11 ' CZ ' ' A' ' 30' ' ' TYR . 1.2 mm -33.86 140.14 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.969 HG12 HG13 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -103.67 -47.73 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.262 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.58 ' HA2' HG21 ' A' ' 4' ' ' VAL . . . 158.36 -112.69 0.54 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.503 1.127 . . . . 0.0 110.951 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.595 ' HG2' HG11 ' A' ' 4' ' ' VAL . 2.4 pt-20 -168.48 119.47 0.78 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.52 0.776 . . . . 0.0 110.315 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.862 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -56.23 163.81 1.51 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.59 ' CE1' ' HB2' ' A' ' 82' ' ' ASP . 3.3 t-80 -42.07 141.02 1.43 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.581 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.556 ' HD2' ' CD2' ' A' ' 80' ' ' HIS . 18.3 Cg_endo -74.97 -28.41 9.25 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.477 1.778 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.59 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 0.5 OUTLIER -76.12 -31.75 58.8 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.407 ' OD2' HD11 ' A' ' 9' ' ' LEU . 2.7 m-20 -86.33 -19.74 29.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.82 ' HB2' HD11 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -70.1 -30.35 67.53 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.534 1.146 . . . . 0.0 110.276 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.408 ' N ' ' HD3' ' A' ' 84' ' ' ARG . 1.0 OUTLIER -87.99 -11.15 48.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.368 1.042 . . . . 0.0 109.98 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.6 mtpt -94.33 -16.33 23.61 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.589 ' CG1' HD23 ' A' ' 9' ' ' LEU . 13.2 mt -68.98 -6.38 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 109.338 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.579 HG21 ' CA ' ' A' ' 77' ' ' GLY . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.48 ' O ' ' CE2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -88.69 139.03 30.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -91.89 90.88 7.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.577 1.173 . . . . 0.0 110.974 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.505 ' O ' ' HA ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -98.03 129.97 44.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 111.022 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.726 HG22 ' HB2' ' A' ' 80' ' ' HIS . 13.2 p -81.2 158.37 24.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.429 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.883 HD21 HD11 ' A' ' 87' ' ' ILE . 0.8 OUTLIER -35.51 -40.59 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 9' ' ' LEU . 4.8 tp10 -34.69 -32.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.274 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.511 ' N ' ' O ' ' A' ' 9' ' ' LEU . 17.6 mm-40 -96.65 -51.95 4.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.495 ' CD1' ' HB3' ' A' ' 79' ' ' LEU . 0.5 OUTLIER -50.66 -38.67 17.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.167 . . . . 0.0 109.345 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.545 ' CG ' ' O ' ' A' ' 9' ' ' LEU . 0.8 OUTLIER -77.18 -25.34 51.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.093 . . . . 0.0 110.348 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -75.19 -13.12 60.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.594 ' ND1' ' CZ2' ' A' ' 22' ' ' TRP . 9.9 m-70 -116.93 55.27 0.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.419 1.075 . . . . 0.0 109.589 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.7 tttm -108.97 64.43 0.61 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -157.25 152.97 26.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.423 1.077 . . . . 0.0 109.291 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 19' ' ' LYS . 8.0 t -39.58 -58.94 1.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.975 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -39.8 -54.28 2.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.31 109.85 7.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 110.021 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.815 HG21 ' HB3' ' A' ' 47' ' ' ARG . 1.6 m -140.94 122.55 15.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.413 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.694 ' O ' HG13 ' A' ' 23' ' ' VAL . 1.4 m0 -120.56 -173.72 2.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 107.997 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.893 HG22 HD21 ' A' ' 32' ' ' LEU . 5.6 m -159.98 111.72 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 109.342 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.755 HD13 ' C ' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -71.61 99.67 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 109.38 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.682 HD11 ' CE1' ' A' ' 30' ' ' TYR . 4.3 pp -118.2 133.59 55.77 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.564 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 0.2 OUTLIER 54.49 35.05 22.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.592 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.564 ' CG ' ' O ' ' A' ' 27' ' ' HIS . 3.6 t60 70.67 8.29 6.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.575 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.564 ' HG2' ' O ' ' A' ' 26' ' ' HIS . 0.0 OUTLIER -124.04 117.15 24.06 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.507 1.129 . . . . 0.0 109.249 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.938 HG13 HG12 ' A' ' 76' ' ' ILE . 5.4 p -88.41 141.92 13.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.586 1.179 . . . . 0.0 109.245 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.682 ' CE1' HD11 ' A' ' 25' ' ' LEU . 28.4 m-85 -124.53 132.87 53.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.093 . . . . 0.0 111.037 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.5 ' CB ' HG22 ' A' ' 76' ' ' ILE . 15.3 t70 -90.67 79.82 6.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.893 HD21 HG22 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -86.8 14.91 6.37 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.535 ' HA ' HD12 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -63.81 -17.86 63.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 110.415 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -90.08 -54.96 3.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.354 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.642 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -85.01 12.03 8.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 111.031 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.535 HD12 ' HA ' ' A' ' 33' ' ' THR . 0.2 OUTLIER -56.46 -40.22 74.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.38 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.65 -19.2 45.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.6 -2.35 58.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.339 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.593 ' CE1' ' HA3' ' A' ' 41' ' ' GLY . 28.5 t-80 -91.29 131.27 37.07 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.574 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.587 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.1 Cg_endo -74.97 -9.84 21.0 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.593 1.839 . . . . 0.0 111.019 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.593 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -61.43 -81.32 0.09 OUTLIER Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.485 1.116 . . . . 0.0 111.055 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.458 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.25 -165.28 30.56 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.455 ' O ' ' CG ' ' A' ' 43' ' ' GLU . 14.0 tt0 -122.71 -10.39 8.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 0.747 . . . . 0.0 110.248 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.564 ' O ' ' CG ' ' A' ' 44' ' ' GLU . 5.0 tt0 -120.68 -2.0 9.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.458 ' CG1' ' HA3' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -99.82 -27.51 3.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.383 1.052 . . . . 0.0 109.333 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.2 mt -79.57 -33.71 41.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.133 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.815 ' HB3' HG21 ' A' ' 21' ' ' THR . 10.0 ptm180 -90.26 -21.54 22.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.258 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -52.37 -29.31 23.3 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.525 HE21 ' HA ' ' A' ' 49' ' ' GLN . 3.2 mm-40 -105.41 15.9 26.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 110.258 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.809 ' HB2' HG23 ' A' ' 21' ' ' THR . . . -80.37 54.99 2.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.08 -35.42 0.03 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.473 1.108 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.476 ' O ' ' CG2' ' A' ' 24' ' ' ILE . . . -118.77 -127.43 3.68 Favored Glycine 0 CA--C 1.529 0.969 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 26.3 p-10 -109.64 123.83 50.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 0.747 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.468 ' CB ' ' HB ' ' A' ' 23' ' ' VAL . . . -93.23 -21.4 19.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 109.286 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.589 ' HA ' ' HB3' ' A' ' 58' ' ' PHE . 0.2 OUTLIER -49.53 -47.41 48.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 110.403 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.37 -32.17 4.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.527 ' O ' HG12 ' A' ' 61' ' ' VAL . 6.3 m-20 -100.09 -45.51 5.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.589 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 1.0 OUTLIER -58.57 -39.96 81.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.574 1.171 . . . . 0.0 111.025 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.498 ' HB2' ' O ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -80.72 -19.38 45.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 110.277 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.487 ' HB3' ' O ' ' A' ' 57' ' ' ASN . 0.2 OUTLIER -67.02 -55.57 13.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.527 HG12 ' O ' ' A' ' 57' ' ' ASN . 0.6 OUTLIER -59.82 -18.33 15.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 68.14 78.63 0.29 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.522 1.139 . . . . 0.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.489 ' ND1' ' O ' ' A' ' 58' ' ' PHE . 56.5 m80 -75.5 140.13 42.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 0.752 . . . . 0.0 109.612 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 41.0 t -54.54 157.85 2.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.402 1.064 . . . . 0.0 109.947 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.7 m -78.37 -25.7 46.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 110.413 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -85.19 7.8 20.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -77.43 -25.97 15.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.283 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -59.94 -23.38 63.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 110.348 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -71.65 -21.59 61.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.57 1.169 . . . . 0.0 110.237 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.94 -62.61 1.49 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.217 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 62.3 p -74.85 86.19 2.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.596 1.185 . . . . 0.0 109.987 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.511 ' O ' ' CG1' ' A' ' 75' ' ' ILE . 0.1 OUTLIER -127.71 -43.3 1.56 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.1 m -90.73 -19.81 23.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.354 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.405 ' O ' ' C ' ' A' ' 75' ' ' ILE . 14.5 m-85 -85.81 -36.63 19.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.597 HG22 ' CD2' ' A' ' 30' ' ' TYR . 0.7 OUTLIER -39.15 141.26 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.91 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.938 HG12 HG13 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -103.23 -42.02 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.579 ' CA ' HG21 ' A' ' 4' ' ' VAL . . . 151.62 -116.14 0.74 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -160.74 120.02 2.65 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 0.777 . . . . 0.0 110.311 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.908 HD11 ' HB3' ' A' ' 84' ' ' ARG . 0.0 OUTLIER -54.31 159.3 2.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.263 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.726 ' HB2' HG22 ' A' ' 8' ' ' THR . 2.6 t-80 -35.67 139.11 0.39 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.561 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.549 ' O ' ' HG3' ' A' ' 84' ' ' ARG . 18.3 Cg_endo -75.07 -24.36 12.78 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.526 1.803 . . . . 0.0 110.994 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.7 -17.23 51.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.5 ' HB2' ' CD2' ' A' ' 79' ' ' LEU . 0.5 OUTLIER -89.7 -43.4 10.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.908 ' HB3' HD11 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -59.62 -23.13 62.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 110.334 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.88 -8.98 29.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 109.955 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -82.03 -32.45 30.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.435 1.084 . . . . 0.0 109.351 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.883 HD11 HD21 ' A' ' 9' ' ' LEU . 28.5 mt -69.35 -6.53 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.127 . . . . 0.0 109.243 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.14 . . . . 0.0 109.337 179.971 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.546 HG21 ' CA ' ' A' ' 77' ' ' GLY . 1.1 t . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.675 ' O ' ' CE2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -99.42 141.42 32.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -79.95 101.69 8.77 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.675 ' CE2' ' O ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -103.8 129.84 51.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 111.006 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.812 HG22 ' CB ' ' A' ' 80' ' ' HIS . 44.3 p -81.76 160.89 23.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.395 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 1.027 HD21 HD11 ' A' ' 87' ' ' ILE . 1.0 OUTLIER -34.75 -39.82 0.1 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 9' ' ' LEU . 67.7 tt0 -35.84 -31.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.24 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' A' ' 9' ' ' LEU . 20.0 mm-40 -102.54 -46.67 4.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.323 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.743 HD11 HG11 ' A' ' 29' ' ' VAL . 0.4 OUTLIER -54.88 -36.51 37.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.282 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.529 ' CG ' ' O ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -82.14 -24.74 34.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.596 1.185 . . . . 0.0 110.242 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.88 -30.55 65.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.658 ' ND1' ' CZ2' ' A' ' 22' ' ' TRP . 13.3 m-70 -93.93 58.79 2.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.598 1.186 . . . . 0.0 109.649 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.3 tmtt? -110.2 60.77 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 20' ' ' SER . 3.0 m-20 -155.42 151.0 27.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.255 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.6 t -39.61 -51.11 2.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.024 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.443 ' O ' HG21 ' A' ' 33' ' ' THR . 0.0 OUTLIER -48.8 -46.81 42.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.435 1.084 . . . . 0.0 109.316 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 17' ' ' ASP . 0.3 OUTLIER -140.13 113.15 8.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.133 . . . . 0.0 109.989 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.719 HG23 ' HB2' ' A' ' 50' ' ' ALA . 7.6 m -145.68 116.83 7.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 110.423 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.667 ' O ' HG13 ' A' ' 23' ' ' VAL . 1.1 m0 -121.9 -177.82 3.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 108.009 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.667 HG13 ' O ' ' A' ' 22' ' ' TRP . 10.6 m -159.25 109.85 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.427 1.079 . . . . 0.0 109.361 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.777 HG22 ' O ' ' A' ' 52' ' ' GLY . 0.1 OUTLIER -63.94 109.07 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.475 HD12 ' O ' ' A' ' 25' ' ' LEU . 4.3 pp -132.67 129.54 38.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 31.4 m80 61.92 34.5 16.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 109.591 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.627 ' HA ' HD11 ' A' ' 24' ' ' ILE . 10.4 m-70 70.11 2.27 3.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.544 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.41 ' O ' ' O ' ' A' ' 25' ' ' LEU . 0.3 OUTLIER -123.21 117.98 26.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.23 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.952 HG13 HG12 ' A' ' 76' ' ' ILE . 5.5 p -84.99 141.96 13.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 1.125 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 5.1 m-85 -123.18 134.42 54.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 0.0 110.985 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.548 ' HB2' HG22 ' A' ' 76' ' ' ILE . 22.3 t70 -85.42 86.34 7.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.494 HD21 ' CB ' ' A' ' 30' ' ' TYR . 1.3 mt -82.85 12.29 5.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.516 ' HA ' HD12 ' A' ' 36' ' ' LEU . 0.4 OUTLIER -69.78 -18.66 63.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 110.405 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.19 -52.48 4.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.25 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.691 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -89.98 15.75 9.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.968 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.516 HD12 ' HA ' ' A' ' 33' ' ' THR . 0.2 OUTLIER -57.42 -50.36 73.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.348 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.46 -22.75 61.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.446 1.091 . . . . 0.0 110.328 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -82.19 -1.64 49.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 110.248 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.597 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 28.6 t-80 -94.08 131.48 31.52 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.626 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.597 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.3 Cg_endo -74.97 -8.82 20.45 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.502 1.791 . . . . 0.0 111.004 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.567 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -62.65 -80.76 0.11 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.559 1.162 . . . . 0.0 110.957 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.482 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.21 -164.01 28.51 Favored Glycine 0 CA--C 1.531 1.051 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 12.4 tt0 -123.34 -12.57 7.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 0.783 . . . . 0.0 110.304 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -118.77 -7.72 10.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.272 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.482 ' CG1' ' HA3' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -93.61 -27.54 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 109.275 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.407 HD23 ' N ' ' A' ' 46' ' ' LEU . 2.0 mt -77.31 -36.45 54.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.529 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -87.73 -19.68 27.26 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.45 ' O ' ' NE2' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -53.03 -21.97 5.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.313 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.45 ' NE2' ' O ' ' A' ' 48' ' ' GLU . 64.8 mm-40 -124.82 30.21 5.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.31 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.719 ' HB2' HG23 ' A' ' 21' ' ' THR . . . -87.2 57.72 4.62 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -169.99 -36.17 0.03 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.545 1.153 . . . . 0.0 111.016 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.777 ' O ' HG22 ' A' ' 24' ' ' ILE . . . -106.7 -136.17 8.19 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.43 ' O ' ' CG ' ' A' ' 56' ' ' GLU . 25.3 p-10 -109.81 117.23 33.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 0.786 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.576 ' HB3' ' HB ' ' A' ' 23' ' ' VAL . . . -91.42 -19.62 22.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.118 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.444 ' HA ' ' HB3' ' A' ' 58' ' ' PHE . 0.6 OUTLIER -49.78 -29.39 7.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.421 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.43 ' CG ' ' O ' ' A' ' 53' ' ' ASP . 0.1 OUTLIER -68.84 -46.34 68.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.333 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -80.92 -33.4 34.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.578 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 0.7 OUTLIER -66.61 -39.78 88.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 111.008 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.407 ' C ' ' CD ' ' A' ' 59' ' ' GLU . 2.3 pp20? -78.26 -21.61 49.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.255 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -62.64 -56.43 17.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.42 ' H ' HG12 ' A' ' 61' ' ' VAL . 1.1 p -60.17 -21.45 22.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 71.71 77.29 0.54 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.542 1.151 . . . . 0.0 110.959 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.463 ' ND1' ' O ' ' A' ' 58' ' ' PHE . 48.0 m80 -70.31 140.16 52.22 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.493 0.761 . . . . 0.0 109.58 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.422 ' O ' ' HB ' ' A' ' 67' ' ' VAL . 4.5 t -63.46 168.0 4.99 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.471 1.107 . . . . 0.0 110.057 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 11.2 t -73.95 -10.21 59.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.4 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -86.77 -3.6 59.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.461 HG11 ' CZ ' ' A' ' 58' ' ' PHE . 1.2 t -82.6 -37.07 13.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.339 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.7 ttt180 -63.53 -29.43 70.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 110.248 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -90.49 -28.46 18.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 110.257 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.48 -59.88 3.35 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.2 m -75.62 123.65 25.88 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.998 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.89 -64.41 0.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.3 m -77.42 -29.51 53.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.456 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.419 ' O ' ' C ' ' A' ' 75' ' ' ILE . 21.0 m-85 -62.13 -38.24 88.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 1.125 HD11 ' CZ ' ' A' ' 30' ' ' TYR . 0.6 OUTLIER -38.96 140.06 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.536 1.147 . . . . 0.0 109.267 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.952 HG12 HG13 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -99.68 -48.48 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.426 1.079 . . . . 0.0 109.306 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.546 ' CA ' HG21 ' A' ' 4' ' ' VAL . . . 162.25 -111.37 0.47 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.411 1.07 . . . . 0.0 110.975 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -164.36 119.69 1.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 0.736 . . . . 0.0 110.358 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.964 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -61.77 155.27 23.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.168 . . . . 0.0 109.327 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.812 ' CB ' HG22 ' A' ' 8' ' ' THR . 1.8 t-80 -32.32 134.59 0.27 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.562 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -18.5 18.67 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.515 1.798 . . . . 0.0 110.969 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -80.02 -36.77 35.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.67 -28.94 40.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.789 ' HB2' HD11 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -63.06 -35.54 80.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.572 1.17 . . . . 0.0 110.366 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.2 t -85.91 -12.04 51.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.006 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -81.89 -34.78 29.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 1.027 HD11 HD21 ' A' ' 9' ' ' LEU . 14.5 mt -68.89 -11.07 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 87' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.372 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.822 HG21 ' HA3' ' A' ' 77' ' ' GLY . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.64 ' O ' ' CE2' ' A' ' 7' ' ' TYR . 1.0 OUTLIER -93.52 124.7 37.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -80.22 87.61 5.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.64 ' CE2' ' O ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -97.56 129.78 44.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 111.021 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.58 HG22 ' HB2' ' A' ' 80' ' ' HIS . 66.5 p -77.72 164.3 25.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.44 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.7 mp -42.93 -31.02 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.411 ' C ' ' OE1' ' A' ' 11' ' ' GLU . 0.8 OUTLIER -48.39 -23.41 0.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 110.325 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.411 ' OE1' ' C ' ' A' ' 10' ' ' GLU . 3.1 mm-40 -100.48 -54.33 2.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.144 . . . . 0.0 110.353 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.592 HD12 ' H ' ' A' ' 12' ' ' ILE . 4.7 mp -55.06 -33.64 29.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.251 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -56.24 -38.8 71.58 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.72 -8.43 54.15 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.509 1.13 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.801 ' CD2' ' CH2' ' A' ' 22' ' ' TRP . 93.6 m-70 -108.84 46.11 0.99 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 0.0 109.558 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.9 ttmt -110.19 56.69 0.62 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.107 . . . . 0.0 109.256 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 18' ' ' SER . 2.2 t70 -157.31 152.21 25.72 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 17' ' ' ASP . 85.0 p -37.49 -56.32 1.02 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.41 1.069 . . . . 0.0 110.028 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.2 -51.25 6.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.363 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.42 ' O ' ' O ' ' A' ' 15' ' ' HIS . 0.1 OUTLIER -135.61 110.6 8.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.982 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.698 HG23 ' HB2' ' A' ' 50' ' ' ALA . 18.7 m -140.99 117.23 10.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.461 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.801 ' CH2' ' CD2' ' A' ' 15' ' ' HIS . 2.6 m0 -121.76 -175.67 3.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 108.061 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 1.045 HG22 HD21 ' A' ' 32' ' ' LEU . 15.4 m -159.28 108.76 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.411 1.069 . . . . 0.0 109.327 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.807 HG22 ' HB ' ' A' ' 29' ' ' VAL . 1.1 pp -67.99 102.08 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.534 HD23 HG23 ' A' ' 23' ' ' VAL . 3.8 pp -121.09 122.55 40.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.227 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.461 ' O ' ' CD ' ' A' ' 28' ' ' LYS . 2.2 m80 62.6 35.86 14.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.596 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.55 ' CG ' ' O ' ' A' ' 27' ' ' HIS . 1.1 t60 70.24 3.54 4.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.555 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.461 ' CD ' ' O ' ' A' ' 26' ' ' HIS . 0.1 OUTLIER -117.81 109.18 16.25 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.995 HG13 HG12 ' A' ' 76' ' ' ILE . 2.9 p -84.75 138.94 18.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.475 1.109 . . . . 0.0 109.337 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.941 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 4.0 m-85 -119.87 134.26 55.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.968 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.521 ' HA ' ' CD1' ' A' ' 22' ' ' TRP . 14.1 t70 -89.77 77.07 7.12 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.453 1.096 . . . . 0.0 109.221 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 1.045 HD21 HG22 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -82.45 15.83 2.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.457 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 0.5 OUTLIER -64.72 -20.75 66.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.437 1.085 . . . . 0.0 110.425 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -90.19 -52.96 4.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.658 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -85.64 12.01 9.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.165 . . . . 0.0 110.94 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.461 ' HB2' ' O ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -56.27 -42.85 78.09 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.405 1.066 . . . . 0.0 109.274 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -79.27 -22.7 44.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 110.329 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -82.09 -4.39 56.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.286 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.62 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 27.9 t-80 -89.19 131.74 39.85 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 109.603 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.62 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.4 Cg_endo -74.97 -8.17 19.86 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.514 1.797 . . . . 0.0 110.975 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.574 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -63.57 -80.68 0.12 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.473 1.108 . . . . 0.0 110.95 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.486 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.08 -167.75 34.06 Favored Glycine 0 CA--C 1.528 0.899 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.419 ' O ' ' CG ' ' A' ' 43' ' ' GLU . 8.3 tt0 -122.43 -12.18 8.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 0.743 . . . . 0.0 110.371 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.558 ' O ' ' CG ' ' A' ' 44' ' ' GLU . 6.2 tt0 -118.46 -2.6 11.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.342 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.486 ' CG1' ' HA3' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -99.94 -30.94 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.374 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.2 mt -73.83 -36.38 64.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.157 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.678 ' HB3' HG21 ' A' ' 21' ' ' THR . 8.1 ptm180 -86.81 -26.67 23.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 110.329 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.432 ' HB2' ' O ' ' A' ' 44' ' ' GLU . 0.5 OUTLIER -51.08 -21.13 1.71 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 110.341 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.499 ' HB2' ' HB2' ' A' ' 54' ' ' ALA . 8.1 mt-30 -120.89 27.68 8.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.413 1.07 . . . . 0.0 110.263 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.698 ' HB2' HG23 ' A' ' 21' ' ' THR . . . -90.58 60.46 4.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.251 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.09 -37.11 0.03 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.483 1.115 . . . . 0.0 110.953 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.421 ' O ' HG13 ' A' ' 24' ' ' ILE . . . -112.26 -135.94 6.65 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -109.82 120.52 42.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.418 0.717 . . . . 0.0 109.272 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.499 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . . . -98.68 -14.24 19.91 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.454 1.097 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.467 ' O ' ' CG ' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -49.61 -28.42 5.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.428 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -71.04 -41.94 70.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.147 . . . . 0.0 110.328 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.442 ' HB2' ' OE1' ' A' ' 49' ' ' GLN . 2.5 m120 -84.5 -35.11 23.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.524 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 1.6 t80 -66.16 -39.6 89.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.084 . . . . 0.0 110.968 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.467 ' CG ' ' O ' ' A' ' 55' ' ' THR . 2.1 pp20? -78.91 -22.08 46.41 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.517 1.136 . . . . 0.0 110.294 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.404 ' HB3' ' O ' ' A' ' 57' ' ' ASN . 0.4 OUTLIER -61.36 -56.48 19.9 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.456 1.097 . . . . 0.0 109.272 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -59.85 -16.6 11.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 65.0 80.74 0.14 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.509 1.13 . . . . 0.0 111.029 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.523 ' HB3' HG21 ' A' ' 67' ' ' VAL . 54.0 m80 -69.93 139.89 52.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.421 0.718 . . . . 0.0 109.639 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.55 167.8 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.09 . . . . 0.0 109.987 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 22.1 p -76.08 -16.7 59.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 110.408 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -89.47 8.23 32.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.523 HG21 ' HB3' ' A' ' 63' ' ' HIS . 0.3 OUTLIER -78.53 -30.15 15.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.448 ' HG3' ' N ' ' A' ' 69' ' ' GLU . 4.3 ptt180 -65.36 -27.57 68.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.255 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.448 ' N ' ' HG3' ' A' ' 68' ' ' ARG . 13.9 pt-20 -100.18 17.49 21.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.79 -64.72 1.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 74.6 m -89.86 96.35 10.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.034 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.88 -63.26 1.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.5 m -71.64 -38.21 70.77 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.522 1.139 . . . . 0.0 110.423 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.443 ' O ' ' C ' ' A' ' 75' ' ' ILE . 18.2 m-85 -54.55 -41.2 69.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.574 1.171 . . . . 0.0 111.028 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.941 HD11 ' CZ ' ' A' ' 30' ' ' TYR . 1.1 mm -35.88 142.49 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.995 HG12 HG13 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -106.78 -43.96 7.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.096 . . . . 0.0 109.271 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.822 ' HA3' HG21 ' A' ' 4' ' ' VAL . . . 155.87 -110.89 0.46 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.454 1.096 . . . . 0.0 111.016 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.434 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 4.1 pt-20 -170.04 119.74 0.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 0.78 . . . . 0.0 110.356 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.995 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -60.64 152.83 25.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.275 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.627 ' N ' HD22 ' A' ' 79' ' ' LEU . 2.0 t-80 -31.08 137.39 0.2 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.654 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 80' ' ' HIS . 18.0 Cg_endo -75.09 -19.16 17.94 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.527 1.804 . . . . 0.0 110.973 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -79.99 -45.42 18.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.42 ' O ' ' HB2' ' A' ' 86' ' ' LYS . 0.4 OUTLIER -66.65 -32.79 74.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.286 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.85 ' HB2' HD11 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -64.81 -39.57 93.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.327 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 47.6 t -87.27 -4.72 59.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 110.0 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.42 ' HB2' ' O ' ' A' ' 83' ' ' ASP . 1.3 mttt -71.23 -41.88 69.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.414 ' O ' ' CG2' ' A' ' 87' ' ' ILE . 21.6 mt -84.9 -7.26 10.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.423 1.077 . . . . 0.0 109.334 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.337 179.955 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.589 HG21 ' CA ' ' A' ' 77' ' ' GLY . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.552 ' O ' ' CE2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -86.43 135.9 33.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -89.74 93.27 9.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 111.058 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.552 ' CE2' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -98.88 129.84 45.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 110.993 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.826 HG22 ' HB2' ' A' ' 80' ' ' HIS . 19.9 p -84.19 158.26 21.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.404 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.57 HD11 HD11 ' A' ' 87' ' ' ILE . 1.5 mp -35.21 -35.87 0.05 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.555 1.16 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.471 ' O ' ' HB2' ' A' ' 14' ' ' LYS . 3.4 tt0 -36.43 -29.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 110.334 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.533 ' N ' ' O ' ' A' ' 9' ' ' LEU . 3.8 mm-40 -101.43 -54.43 2.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 0.0 110.26 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.547 HD11 ' HB2' ' A' ' 79' ' ' LEU . 3.1 mp -48.14 -40.0 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.243 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.569 ' CG ' ' O ' ' A' ' 9' ' ' LEU . 1.4 pt20 -76.09 -27.73 57.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.362 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.471 ' HB2' ' O ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -75.26 -13.96 60.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.647 ' ND1' ' CZ2' ' A' ' 22' ' ' TRP . 12.7 m-70 -111.7 59.74 0.62 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.621 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -110.11 48.83 0.88 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 18' ' ' SER . 6.7 t0 -142.33 145.32 33.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 17' ' ' ASP . 56.2 p -37.33 -49.4 0.97 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.046 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.44 -55.16 4.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.239 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.25 111.26 7.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.974 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.815 HG21 ' HB3' ' A' ' 47' ' ' ARG . 1.9 m -139.16 127.76 23.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.09 . . . . 0.0 110.438 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.647 ' CZ2' ' ND1' ' A' ' 15' ' ' HIS . 1.2 m0 -125.44 -177.62 3.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 108.021 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 1.075 HG22 HD21 ' A' ' 32' ' ' LEU . 27.9 m -158.51 110.66 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.435 HG22 ' HB ' ' A' ' 29' ' ' VAL . 0.9 OUTLIER -67.84 120.4 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.282 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 28' ' ' LYS . 3.2 pp -141.21 150.27 42.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 7.8 t60 44.27 28.49 0.29 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.605 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.411 ' C ' ' HG2' ' A' ' 28' ' ' LYS . 8.6 m-70 69.79 42.4 1.07 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 109.538 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 25' ' ' LEU . 2.5 ptpt -160.65 120.49 2.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.323 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.867 HG13 HG12 ' A' ' 76' ' ' ILE . 6.0 p -82.89 138.52 19.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 0.0 109.267 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 1.09 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 5.6 m-85 -119.2 136.76 54.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 111.03 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.558 ' HB2' HG22 ' A' ' 76' ' ' ILE . 18.9 t0 -90.47 77.32 6.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 1.075 HD21 HG22 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -88.09 21.35 2.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.553 HG22 ' OD1' ' A' ' 31' ' ' ASP . 1.0 OUTLIER -71.34 -23.68 61.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.425 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.407 ' CE ' ' HA ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -86.32 -50.53 6.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.65 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -86.26 11.68 11.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.085 . . . . 0.0 111.048 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.449 ' CD1' ' HA ' ' A' ' 33' ' ' THR . 0.2 OUTLIER -59.5 -44.97 92.97 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.555 1.16 . . . . 0.0 109.334 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.52 -24.07 50.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.402 1.064 . . . . 0.0 110.276 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -81.2 -8.23 59.72 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.543 1.152 . . . . 0.0 110.283 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.599 ' CE1' ' HA3' ' A' ' 41' ' ' GLY . 34.6 t-80 -85.38 132.78 43.93 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.586 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.582 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.4 Cg_endo -74.99 -14.2 21.22 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.469 1.773 . . . . 0.0 110.988 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.599 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -57.94 -79.65 0.1 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.606 1.191 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.469 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.21 -166.27 32.04 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.436 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 10.6 tt0 -120.06 -14.26 8.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 0.755 . . . . 0.0 110.263 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.534 ' HA ' ' CG ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -113.88 -27.87 7.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 110.299 -179.93 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.495 ' HA ' ' HB2' ' A' ' 48' ' ' GLU . 0.2 OUTLIER -69.39 -42.53 81.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.552 1.157 . . . . 0.0 109.349 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.439 HD23 ' N ' ' A' ' 46' ' ' LEU . 1.3 mt -61.86 -49.73 75.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.353 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.815 ' HB3' HG21 ' A' ' 21' ' ' THR . 0.8 OUTLIER -74.75 -24.73 58.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.405 1.066 . . . . 0.0 110.277 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.495 ' HB2' ' HA ' ' A' ' 45' ' ' VAL . 0.7 OUTLIER -43.66 -28.31 0.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.39 1.056 . . . . 0.0 110.285 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.675 ' CB ' ' HB2' ' A' ' 54' ' ' ALA . 26.4 mm100 -118.5 40.23 3.27 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.513 1.133 . . . . 0.0 110.25 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.757 ' HB2' HG23 ' A' ' 21' ' ' THR . . . -97.81 57.87 1.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 0.0 109.307 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.13 -36.17 0.03 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -117.14 -128.85 4.15 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 41.0 p-10 -109.91 122.77 48.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 0.75 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.675 ' HB2' ' CB ' ' A' ' 49' ' ' GLN . . . -103.27 -12.97 16.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.237 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.477 ' O ' ' CG ' ' A' ' 59' ' ' GLU . 0.9 OUTLIER -49.56 -29.9 7.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 110.352 -179.938 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.0 -43.93 66.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.3 m-20 -81.56 -31.33 32.72 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.423 1.077 . . . . 0.0 109.303 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.622 ' CD1' ' CE1' ' A' ' 63' ' ' HIS . 11.9 t80 -71.85 -39.67 69.55 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 110.987 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.477 ' CG ' ' O ' ' A' ' 55' ' ' THR . 2.2 pp20? -82.6 -15.1 53.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -57.95 -52.45 65.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.155 . . . . 0.0 109.259 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.451 HG12 ' H ' ' A' ' 61' ' ' VAL . 0.5 OUTLIER -66.76 -16.99 21.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.333 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.28 80.52 0.19 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.622 ' CE1' ' CD1' ' A' ' 58' ' ' PHE . 67.3 m80 -76.41 139.42 40.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 0.773 . . . . 0.0 109.578 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.418 ' O ' ' HB ' ' A' ' 67' ' ' VAL . 3.4 t -68.33 157.86 34.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.002 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 69.9 p -55.8 -17.24 5.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.412 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -73.32 -17.43 61.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.619 HG21 ' CD2' ' A' ' 63' ' ' HIS . 0.4 OUTLIER -69.96 -29.8 41.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.415 1.072 . . . . 0.0 109.357 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.1 tpp180 -64.04 -37.69 88.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -95.88 27.56 3.5 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 0.0 110.324 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.61 -57.6 2.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.351 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.4 p -94.54 70.88 3.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 110.021 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -81.24 -56.75 3.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.9 m -72.63 -45.39 59.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.39 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.478 ' O ' ' C ' ' A' ' 75' ' ' ILE . 20.1 m-85 -50.58 -43.76 56.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 110.949 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 1.09 HD11 ' CZ ' ' A' ' 30' ' ' TYR . 0.7 OUTLIER -33.87 139.87 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.867 HG12 HG13 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -105.43 -49.39 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.589 ' CA ' HG21 ' A' ' 4' ' ' VAL . . . 163.0 -112.8 0.53 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.538 1.149 . . . . 0.0 110.945 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -164.31 119.37 1.48 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 0.747 . . . . 0.0 110.298 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.904 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -52.07 157.73 1.25 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.826 ' HB2' HG22 ' A' ' 8' ' ' THR . 5.1 t-80 -33.98 141.66 0.23 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.632 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.447 ' HD2' ' CG ' ' A' ' 80' ' ' HIS . 18.4 Cg_endo -75.02 -30.39 7.19 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.493 1.786 . . . . 0.0 110.991 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.419 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 2.0 t0 -70.47 -47.08 62.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.543 1.152 . . . . 0.0 109.237 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.417 ' CG ' ' HB ' ' A' ' 8' ' ' THR . 1.0 OUTLIER -65.2 -34.0 77.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.718 ' HB2' HD11 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -60.02 -37.74 80.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.265 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.416 ' N ' ' HD3' ' A' ' 84' ' ' ARG . 41.0 t -77.48 -12.68 59.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.984 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.1 mtpt -93.53 -13.96 27.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.57 HD11 HD11 ' A' ' 9' ' ' LEU . 33.4 mt -71.23 -4.54 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.348 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.961 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.743 HG21 ' HA3' ' A' ' 77' ' ' GLY . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.628 ' O ' ' CE2' ' A' ' 7' ' ' TYR . 1.3 ttpt -86.31 120.37 27.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -74.11 58.3 0.69 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.435 1.084 . . . . 0.0 110.967 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.628 ' CE2' ' O ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -64.14 129.81 41.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.993 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.712 HG22 ' HB2' ' A' ' 80' ' ' HIS . 44.9 p -78.4 156.31 29.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.165 . . . . 0.0 110.382 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.543 ' N ' HD12 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -37.87 -32.03 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 8' ' ' THR . 0.4 OUTLIER -43.33 -29.97 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 110.276 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -97.75 -52.63 3.68 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.44 1.087 . . . . 0.0 110.287 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.58 HD13 ' HB2' ' A' ' 79' ' ' LEU . 3.6 mp -53.31 -38.92 33.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.42 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 12.5 pt20 -72.86 -27.64 62.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.05 -6.02 39.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.221 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.663 ' ND1' ' CZ2' ' A' ' 22' ' ' TRP . 10.7 m-70 -118.52 59.81 0.81 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.599 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.38 64.05 0.61 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.543 1.152 . . . . 0.0 109.331 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -149.99 165.56 32.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.235 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 76.6 p -61.24 -36.18 79.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.94 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.6 -49.88 71.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.582 1.176 . . . . 0.0 109.32 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.99 105.95 7.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.968 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.487 HG23 ' CB ' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -141.4 128.83 21.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.442 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.663 ' CZ2' ' ND1' ' A' ' 15' ' ' HIS . 1.9 m0 -125.41 -175.02 3.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 107.979 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.705 HG23 HD23 ' A' ' 25' ' ' LEU . 10.6 m -157.16 110.26 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.738 HG22 ' HB ' ' A' ' 29' ' ' VAL . 1.3 pp -69.78 94.71 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.438 1.086 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.705 HD23 HG23 ' A' ' 23' ' ' VAL . 2.9 pp -117.94 142.91 46.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.2 m170 53.51 32.78 14.8 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.538 1.149 . . . . 0.0 109.631 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.699 ' CE1' ' HA ' ' A' ' 81' ' ' PRO . 0.9 OUTLIER 69.41 7.62 6.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.566 1.166 . . . . 0.0 109.613 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.442 ' O ' ' O ' ' A' ' 25' ' ' LEU . 4.8 mttm -126.63 122.64 35.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.324 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.98 HG13 HG12 ' A' ' 76' ' ' ILE . 2.8 p -85.01 139.1 17.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.896 ' CE2' HD11 ' A' ' 75' ' ' ILE . 4.3 m-85 -120.35 130.03 54.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 111.018 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.62 ' CB ' HG22 ' A' ' 76' ' ' ILE . 6.0 t0 -88.22 85.09 6.87 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.531 HD23 ' C ' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -94.39 20.47 8.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -67.29 -16.22 64.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 110.438 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -90.22 -52.48 4.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.584 ' CZ ' ' HB2' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -83.13 6.35 19.49 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.486 HD11 ' CG2' ' A' ' 21' ' ' THR . 0.2 OUTLIER -54.36 -37.76 65.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.241 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -82.99 -20.07 35.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.303 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -84.61 -9.93 57.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.295 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.589 ' CE1' ' HA3' ' A' ' 41' ' ' GLY . 33.3 t-80 -82.81 132.59 50.98 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.635 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.586 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.4 Cg_endo -74.91 -17.04 20.1 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.552 1.817 . . . . 0.0 111.019 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.589 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -54.64 -80.72 0.07 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.519 1.137 . . . . 0.0 111.029 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.484 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -173.93 -167.89 34.15 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 16.0 tt0 -121.91 -13.65 8.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 0.763 . . . . 0.0 110.296 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -117.22 -1.25 11.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.489 HG22 HD23 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -100.45 -32.85 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.489 HD23 HG22 ' A' ' 45' ' ' VAL . 6.3 mt -70.04 -47.14 63.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.519 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -75.61 -27.92 58.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.273 -179.91 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -44.99 -35.09 2.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.563 1.165 . . . . 0.0 110.298 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.406 ' O ' ' HB2' ' A' ' 54' ' ' ALA . 11.7 mm100 -115.06 29.98 7.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.581 1.175 . . . . 0.0 110.365 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.519 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -99.29 67.63 1.58 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.09 -37.03 0.03 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.458 1.099 . . . . 0.0 111.022 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.408 ' O ' ' CG1' ' A' ' 24' ' ' ILE . . . -118.23 -121.22 3.07 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.418 ' OD1' ' HG2' ' A' ' 56' ' ' GLU . 11.6 t70 -109.85 115.67 30.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 0.754 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 49' ' ' GLN . . . -105.36 -21.24 13.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.346 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.473 ' HB ' ' CB ' ' A' ' 25' ' ' LEU . 0.3 OUTLIER -49.54 -21.9 1.1 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 110.42 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.461 ' HG3' ' N ' ' A' ' 57' ' ' ASN . 1.0 OUTLIER -80.55 -36.04 33.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 110.249 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.461 ' N ' ' HG3' ' A' ' 56' ' ' GLU . 5.0 m-20 -90.2 -28.08 19.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.687 ' CD1' ' CE1' ' A' ' 63' ' ' HIS . 10.6 t80 -71.78 -39.23 70.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.418 1.074 . . . . 0.0 110.979 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.434 ' CG ' ' O ' ' A' ' 55' ' ' THR . 2.4 pp20? -79.38 -18.73 51.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.269 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.4 ' HB3' ' O ' ' A' ' 57' ' ' ASN . 12.8 t70 -52.0 -54.44 29.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.453 ' H ' HG12 ' A' ' 61' ' ' VAL . 0.5 OUTLIER -63.83 -19.09 23.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 72.58 78.62 0.5 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.547 1.154 . . . . 0.0 111.025 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.687 ' CE1' ' CD1' ' A' ' 58' ' ' PHE . 58.2 m80 -77.66 135.51 38.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 0.784 . . . . 0.0 109.591 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.48 ' O ' ' HB ' ' A' ' 67' ' ' VAL . 23.5 t -80.39 156.39 26.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.951 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 94.7 m -50.55 -17.46 0.51 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.399 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.429 ' N ' ' C ' ' A' ' 64' ' ' SER . 1.0 OUTLIER -67.09 -9.8 43.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.247 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.48 ' HB ' ' O ' ' A' ' 64' ' ' SER . 0.5 OUTLIER -77.05 -33.87 21.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.306 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 60.6 ttt-85 -54.59 -41.2 69.61 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.513 1.133 . . . . 0.0 110.227 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.409 ' HG2' ' N ' ' A' ' 70' ' ' LEU . 4.2 pt-20 -59.7 -31.33 69.49 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.52 1.138 . . . . 0.0 110.265 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.409 ' N ' ' HG2' ' A' ' 69' ' ' GLU . 2.8 mm? -71.38 -45.95 61.56 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.544 1.153 . . . . 0.0 109.348 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.18 75.92 10.14 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.468 1.105 . . . . 0.0 109.921 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -118.37 -50.82 2.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.343 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.439 HG22 ' CD1' ' A' ' 74' ' ' TYR . 0.5 OUTLIER -99.2 -20.17 16.75 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 110.417 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.439 ' CD1' HG22 ' A' ' 73' ' ' THR . 8.8 m-85 -86.04 40.43 0.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 111.065 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.896 HD11 ' CE2' ' A' ' 30' ' ' TYR . 1.4 mm -110.6 154.26 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 109.301 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.98 HG12 HG13 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -122.88 -42.34 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.583 1.177 . . . . 0.0 109.253 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.743 ' HA3' HG21 ' A' ' 4' ' ' VAL . . . 150.63 -114.51 0.65 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.498 1.124 . . . . 0.0 111.035 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -164.08 119.67 1.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.772 . . . . 0.0 110.274 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.859 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -58.95 162.97 3.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.57 1.169 . . . . 0.0 109.299 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.712 ' HB2' HG22 ' A' ' 8' ' ' THR . 4.7 t-80 -40.15 143.42 0.62 Allowed Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.557 1.16 . . . . 0.0 109.629 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.699 ' HA ' ' CE1' ' A' ' 27' ' ' HIS . 18.2 Cg_endo -75.05 -35.47 3.08 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.601 1.843 . . . . 0.0 111.015 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.596 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 1.1 m-20 -70.56 -38.95 74.21 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.408 ' OD2' HD11 ' A' ' 9' ' ' LEU . 3.0 m-20 -76.62 -20.57 56.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.804 ' HB2' HD11 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -72.13 -31.55 66.1 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.116 . . . . 0.0 110.327 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.11 -5.06 55.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.157 . . . . 0.0 109.987 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.4 -37.07 44.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.595 1.184 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.422 ' O ' ' C ' ' A' ' 88' ' ' ALA . 20.7 mt -69.21 -15.17 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 87' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.253 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.407 HG11 ' HG2' ' A' ' 78' ' ' GLU . 2.2 t . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.608 ' O ' ' CZ ' ' A' ' 7' ' ' TYR . 0.1 OUTLIER -105.36 136.26 45.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -87.11 93.25 9.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.971 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.608 ' CZ ' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -103.62 129.89 50.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 110.998 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.595 HG22 ' HB2' ' A' ' 80' ' ' HIS . 69.1 p -77.29 158.98 29.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.421 1.075 . . . . 0.0 110.371 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.537 ' CD1' HD23 ' A' ' 79' ' ' LEU . 2.2 mp -41.0 -32.53 0.24 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.514 1.134 . . . . 0.0 109.36 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.404 ' N ' ' C ' ' A' ' 8' ' ' THR . 2.8 tt0 -47.29 -22.92 0.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.407 ' N ' ' C ' ' A' ' 9' ' ' LEU . 9.7 mm-40 -97.29 -56.03 2.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 110.296 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.7 mp -54.06 -38.53 38.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.401 ' OE1' ' HA ' ' A' ' 13' ' ' GLN . 56.3 mm-40 -58.36 -44.28 88.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.3 -9.39 58.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.077 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.654 ' CE1' ' CH2' ' A' ' 22' ' ' TRP . 40.3 m80 -97.51 36.27 1.52 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.619 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.29 44.73 1.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.289 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -118.71 169.96 9.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.95 63.46 6.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 110.012 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -170.22 -41.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.614 1.196 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.509 ' HA ' HG21 ' A' ' 33' ' ' THR . 0.3 OUTLIER -135.04 68.91 1.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.989 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.958 HG21 ' HB3' ' A' ' 47' ' ' ARG . 1.3 m -102.24 116.73 33.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 110.431 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.698 ' O ' HG13 ' A' ' 23' ' ' VAL . 6.8 m0 -108.18 -173.8 2.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 108.063 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.698 HG13 ' O ' ' A' ' 22' ' ' TRP . 2.9 m -160.13 107.36 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.908 HG22 ' O ' ' A' ' 52' ' ' GLY . 1.1 tt -65.16 130.49 30.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.346 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.555 HD12 ' O ' ' A' ' 25' ' ' LEU . 4.0 pp -151.35 118.01 5.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 67.92 35.81 3.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 0.0 109.614 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.559 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 3.1 t-80 68.06 6.82 5.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.584 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.41 ' HD3' ' N ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -120.13 112.93 19.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 109.328 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.942 HG13 HG12 ' A' ' 76' ' ' ILE . 6.2 p -83.83 139.48 17.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.853 ' CE2' HD11 ' A' ' 75' ' ' ILE . 4.9 m-85 -118.69 141.58 48.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.555 1.159 . . . . 0.0 110.982 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.612 ' CB ' HG22 ' A' ' 76' ' ' ILE . 3.2 t0 -99.04 87.55 3.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.255 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.654 HD11 HG21 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -102.88 32.65 3.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.103 . . . . 0.0 109.248 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.622 HG22 ' O ' ' A' ' 21' ' ' THR . 1.2 p -75.75 -19.21 59.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.404 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.02 -51.69 5.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.614 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -83.07 7.49 15.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 111.014 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.434 HD12 ' O ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -55.93 -40.34 72.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.06 -19.85 39.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 110.292 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -85.32 -6.04 59.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.56 1.162 . . . . 0.0 110.284 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.601 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 26.1 t-80 -85.32 130.26 52.36 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.586 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.601 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.2 Cg_endo -75.01 0.29 9.09 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.513 1.796 . . . . 0.0 111.039 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.582 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -73.31 -80.26 0.45 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.472 1.108 . . . . 0.0 110.998 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.476 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.19 -168.43 35.05 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.427 ' O ' ' CG ' ' A' ' 43' ' ' GLU . 12.6 tt0 -121.83 -11.54 8.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 0.783 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.547 ' O ' ' CG ' ' A' ' 44' ' ' GLU . 5.2 tt0 -119.12 -2.41 10.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.506 HG22 HD23 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -100.09 -29.09 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.328 179.923 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.506 HD23 HG22 ' A' ' 45' ' ' VAL . 1.7 mt -76.17 -34.5 59.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.958 ' HB3' HG21 ' A' ' 21' ' ' THR . 5.5 ptm180 -88.38 -24.67 23.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.413 1.071 . . . . 0.0 110.302 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -47.06 -23.79 0.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.21 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.406 ' N ' ' C ' ' A' ' 47' ' ' ARG . 93.9 mm-40 -121.64 33.92 5.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 110.349 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.814 ' HB2' HG23 ' A' ' 21' ' ' THR . . . -88.92 49.46 1.79 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 109.336 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.44 -32.78 0.02 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.571 1.169 . . . . 0.0 111.063 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.908 ' O ' HG22 ' A' ' 24' ' ' ILE . . . -108.02 -137.7 8.34 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.408 ' OD1' ' N ' ' A' ' 53' ' ' ASP . 6.6 p-10 -109.71 119.36 39.15 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 0.761 . . . . 0.0 109.276 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -95.91 -17.46 21.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.485 ' HA ' ' HB3' ' A' ' 58' ' ' PHE . 0.5 OUTLIER -49.65 -35.93 23.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.405 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.63 -47.82 82.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.312 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.443 ' O ' HG12 ' A' ' 61' ' ' VAL . 90.2 m-20 -78.46 -35.49 46.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.113 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.569 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 0.7 OUTLIER -65.89 -39.52 90.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 111.038 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.414 ' CD ' ' C ' ' A' ' 59' ' ' GLU . 1.8 pp20? -80.3 -19.98 45.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 110.374 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.17 -56.17 16.66 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.484 1.115 . . . . 0.0 109.353 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.443 HG12 ' O ' ' A' ' 57' ' ' ASN . 0.8 OUTLIER -59.99 -19.58 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.09 . . . . 0.0 109.313 179.93 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.95 78.23 0.3 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.461 1.101 . . . . 0.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.465 ' ND1' ' O ' ' A' ' 58' ' ' PHE . 53.8 m80 -71.44 140.08 49.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 0.771 . . . . 0.0 109.551 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.416 ' O ' ' HB ' ' A' ' 67' ' ' VAL . 0.4 OUTLIER -62.35 159.19 15.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.117 . . . . 0.0 109.966 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 52.0 m -68.57 -7.14 29.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.346 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.779 ' O ' HD23 ' A' ' 70' ' ' LEU . 27.5 m-20 -93.39 7.77 43.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.422 1.076 . . . . 0.0 109.233 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.416 ' HB ' ' O ' ' A' ' 64' ' ' SER . 0.4 OUTLIER -89.16 -33.63 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.42 -35.19 67.55 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.438 1.086 . . . . 0.0 110.307 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 66' ' ' ASP . 6.2 pt-20 -82.17 -26.99 32.93 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.105 . . . . 0.0 110.257 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.779 HD23 ' O ' ' A' ' 66' ' ' ASP . 0.9 OUTLIER -52.67 -70.99 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 109.246 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 57.5 p -72.91 59.22 0.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.995 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.37 -45.6 11.74 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.589 1.18 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.7 m -93.69 -10.69 33.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.36 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 18.3 m-30 -90.88 18.26 6.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 111.032 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.853 HD11 ' CE2' ' A' ' 30' ' ' TYR . 1.5 mm -88.48 151.31 3.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.942 HG12 HG13 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -118.66 -43.61 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.339 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 149.59 -116.6 0.8 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.489 1.118 . . . . 0.0 110.961 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.407 ' HG2' HG11 ' A' ' 4' ' ' VAL . 6.6 pt-20 -165.43 119.64 1.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 0.777 . . . . 0.0 110.25 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.9 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -50.06 159.06 0.46 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.595 ' HB2' HG22 ' A' ' 8' ' ' THR . 3.4 t-80 -34.93 140.26 0.3 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.465 1.103 . . . . 0.0 109.562 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 80' ' ' HIS . 18.2 Cg_endo -75.08 -24.01 13.1 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.427 1.751 . . . . 0.0 110.925 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.441 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 0.9 OUTLIER -76.9 -40.48 47.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.095 . . . . 0.0 109.3 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.433 ' HB2' ' CD2' ' A' ' 79' ' ' LEU . 1.2 m-20 -75.2 -26.11 58.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.709 ' HB2' HD11 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -64.75 -32.87 74.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.288 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 10.7 t -84.64 -11.15 56.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.17 . . . . 0.0 110.031 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 6.5 mttp -74.73 -35.28 62.67 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.466 ' O ' ' C ' ' A' ' 88' ' ' ALA . 9.3 mt -62.17 -14.66 12.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.466 ' C ' ' O ' ' A' ' 87' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.358 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.763 HG21 ' CA ' ' A' ' 77' ' ' GLY . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.635 ' O ' ' CE2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -87.8 131.16 34.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.295 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -86.6 86.91 7.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 111.029 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.635 ' CE2' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -94.78 129.81 41.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.978 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.476 ' HB ' ' OD2' ' A' ' 83' ' ' ASP . 39.7 p -75.57 156.33 35.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.411 1.07 . . . . 0.0 110.443 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.614 HD11 ' OD1' ' A' ' 83' ' ' ASP . 0.2 OUTLIER -43.4 -26.24 0.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.432 1.082 . . . . 0.0 109.278 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.439 ' H ' HD12 ' A' ' 9' ' ' LEU . 3.8 tt0 -47.09 -29.76 2.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.434 ' O ' ' ND1' ' A' ' 15' ' ' HIS . 14.1 mm-40 -96.34 -53.95 3.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.274 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.544 HD12 ' H ' ' A' ' 12' ' ' ILE . 4.3 mp -53.48 -39.12 35.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -68.36 -36.51 79.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 110.273 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -75.04 -9.57 58.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.615 ' ND1' ' CH2' ' A' ' 22' ' ' TRP . 40.4 m80 -100.92 55.23 0.85 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.587 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -110.09 54.98 0.65 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -138.24 151.63 47.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 48.8 p -51.96 -31.65 30.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.002 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.467 ' O ' HG21 ' A' ' 33' ' ' THR . 3.9 ptmt -71.1 -38.61 72.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.603 1.189 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.2 102.52 4.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.569 1.168 . . . . 0.0 109.967 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.848 HG23 ' CB ' ' A' ' 50' ' ' ALA . 2.3 m -139.99 117.67 11.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.414 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.615 ' CH2' ' ND1' ' A' ' 15' ' ' HIS . 0.8 OUTLIER -124.68 178.48 5.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 107.909 -179.933 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.767 ' HB ' ' HB3' ' A' ' 54' ' ' ALA . 6.2 m -153.64 111.02 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.614 1.196 . . . . 0.0 109.267 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.717 HG22 ' HB ' ' A' ' 29' ' ' VAL . 1.4 pp -63.38 102.89 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.608 HD23 HG23 ' A' ' 23' ' ' VAL . 2.8 pp -133.19 132.36 41.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.474 1.109 . . . . 0.0 109.407 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.602 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 0.1 OUTLIER 70.09 29.51 3.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.585 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.602 ' CD2' ' O ' ' A' ' 26' ' ' HIS . 0.0 OUTLIER 70.19 6.14 5.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.586 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.539 ' HD2' ' CD2' ' A' ' 27' ' ' HIS . 0.1 OUTLIER -134.34 122.86 23.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.89 HG13 HG12 ' A' ' 76' ' ' ILE . 2.5 p -80.3 144.68 10.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.091 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.969 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 4.7 m-85 -119.41 133.81 55.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.949 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.577 ' CB ' HG22 ' A' ' 76' ' ' ILE . 8.3 t0 -91.97 80.34 5.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.339 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.559 HD21 HG22 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -88.93 14.81 9.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.467 HG21 ' O ' ' A' ' 19' ' ' LYS . 0.5 OUTLIER -64.71 -16.26 62.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.34 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -90.14 -51.6 5.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.113 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.62 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -87.42 11.62 14.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 111.042 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.452 ' CD1' ' HA ' ' A' ' 33' ' ' THR . 0.1 OUTLIER -61.88 -33.06 73.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -84.66 -20.74 30.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -85.21 -25.96 27.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 110.258 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.593 ' HB2' ' CZ ' ' A' ' 35' ' ' PHE . 38.1 t-80 -64.04 133.39 95.58 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.582 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.575 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.3 Cg_endo -74.96 -14.51 21.22 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.45 1.763 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.579 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -58.14 -78.75 0.12 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.454 1.096 . . . . 0.0 110.988 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.477 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.05 -163.78 28.03 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.435 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 13.5 tt0 -121.17 -15.07 8.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 0.762 . . . . 0.0 110.275 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.532 ' HA ' ' CG ' ' A' ' 47' ' ' ARG . 3.3 pm0 -115.51 -27.55 7.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 110.247 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.477 ' CG1' ' HA3' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -71.2 -30.7 41.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.436 HD11 ' HB3' ' A' ' 39' ' ' HIS . 3.8 mt -73.12 -44.01 60.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.827 ' HB3' HG21 ' A' ' 21' ' ' THR . 7.8 ptm180 -82.32 -21.34 36.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 44' ' ' GLU . 0.6 OUTLIER -45.0 -29.48 0.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.24 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.721 ' O ' HG12 ' A' ' 23' ' ' VAL . 39.4 mm-40 -118.73 37.22 4.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.848 ' CB ' HG23 ' A' ' 21' ' ' THR . . . -99.1 68.54 1.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.17 -39.36 0.03 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.405 ' O ' ' CG1' ' A' ' 24' ' ' ILE . . . -117.85 -124.43 3.43 Favored Glycine 0 CA--C 1.531 1.061 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -109.88 115.87 30.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.573 0.808 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.767 ' HB3' ' HB ' ' A' ' 23' ' ' VAL . . . -96.28 -15.37 21.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.47 ' O ' ' CG ' ' A' ' 59' ' ' GLU . 0.8 OUTLIER -49.71 -24.43 2.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.439 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -79.26 -40.81 29.62 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.517 1.136 . . . . 0.0 110.315 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -85.52 -28.21 25.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.689 ' CD1' ' CE1' ' A' ' 63' ' ' HIS . 9.8 t80 -73.16 -39.68 65.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.419 1.074 . . . . 0.0 110.971 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.47 ' CG ' ' O ' ' A' ' 55' ' ' THR . 2.4 pp20? -79.41 -15.64 57.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.337 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -54.01 -51.79 62.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.264 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.451 ' H ' HG12 ' A' ' 61' ' ' VAL . 0.6 OUTLIER -69.0 -16.18 20.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.14 79.29 0.23 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.453 1.096 . . . . 0.0 110.929 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.689 ' CE1' ' CD1' ' A' ' 58' ' ' PHE . 64.7 m80 -74.74 140.08 43.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 0.755 . . . . 0.0 109.535 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.406 ' O ' ' HB ' ' A' ' 67' ' ' VAL . 3.7 m -71.83 170.11 14.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.017 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.5 t -65.19 -8.31 16.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.589 1.181 . . . . 0.0 110.438 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.402 ' O ' HD23 ' A' ' 70' ' ' LEU . 69.2 m-20 -77.64 -13.23 59.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.564 HG21 ' CD2' ' A' ' 63' ' ' HIS . 0.8 OUTLIER -74.22 -37.37 45.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.561 1.163 . . . . 0.0 109.3 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.9 ttp85 -64.34 -28.62 69.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 66' ' ' ASP . 11.4 pt-20 -97.56 14.28 27.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.402 HD23 ' O ' ' A' ' 66' ' ' ASP . 0.2 OUTLIER -91.33 -66.43 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.252 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.35 84.66 7.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.962 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.92 -56.02 3.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.9 m -85.36 -28.4 25.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 110.352 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.424 ' O ' ' C ' ' A' ' 75' ' ' ILE . 22.3 m-30 -62.45 -38.39 89.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.969 HD11 ' CZ ' ' A' ' 30' ' ' TYR . 1.0 OUTLIER -37.84 140.23 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.89 HG12 HG13 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -102.93 -47.73 10.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.241 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.763 ' CA ' HG21 ' A' ' 4' ' ' VAL . . . 159.31 -111.46 0.48 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.493 1.12 . . . . 0.0 111.005 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -169.11 119.4 0.71 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 0.769 . . . . 0.0 110.297 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.988 HD11 ' HB3' ' A' ' 84' ' ' ARG . 0.0 OUTLIER -59.69 158.59 9.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 109.264 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.472 ' CG ' ' HD2' ' A' ' 81' ' ' PRO . 4.8 t-80 -37.03 141.77 0.39 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.616 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.587 ' O ' ' HG3' ' A' ' 84' ' ' ARG . 18.2 Cg_endo -74.9 -26.8 10.79 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.502 1.791 . . . . 0.0 110.98 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.452 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 0.6 OUTLIER -80.68 -18.84 46.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.344 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.614 ' OD1' HD11 ' A' ' 9' ' ' LEU . 1.8 m-20 -86.53 -43.5 12.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.356 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.988 ' HB3' HD11 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -59.66 -28.52 67.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.291 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.44 ' N ' ' HD3' ' A' ' 84' ' ' ARG . 46.8 t -86.51 -11.65 51.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 110.021 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -79.72 -31.68 41.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.483 ' HA ' HD13 ' A' ' 87' ' ' ILE . 5.5 mm -70.66 -5.86 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.98 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.63 HG21 ' CA ' ' A' ' 77' ' ' GLY . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.617 ' O ' ' CE1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -84.83 141.1 30.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.416 1.073 . . . . 0.0 109.246 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -94.89 92.76 7.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.972 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.617 ' CE1' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -96.95 129.97 44.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.592 HG22 ' HB2' ' A' ' 80' ' ' HIS . 34.4 p -79.72 156.05 27.71 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.539 1.15 . . . . 0.0 110.379 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.526 ' N ' HD12 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -35.13 -36.93 0.06 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.488 1.117 . . . . 0.0 109.35 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 8' ' ' THR . 2.5 tt0 -38.9 -29.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.4 1.062 . . . . 0.0 110.311 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 9' ' ' LEU . 9.8 mm-40 -99.57 -49.7 4.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 110.267 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.537 HD12 ' CZ3' ' A' ' 22' ' ' TRP . 1.3 mp -54.23 -38.02 37.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -76.06 -25.93 56.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.403 1.064 . . . . 0.0 110.349 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.1 -10.5 59.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.133 . . . . 0.0 109.349 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.68 ' ND1' ' CZ2' ' A' ' 22' ' ' TRP . 13.3 m-70 -113.0 58.68 0.65 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.631 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -110.06 62.07 0.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -158.64 161.86 37.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.254 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 91.5 p -52.07 -47.43 65.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.396 1.06 . . . . 0.0 109.939 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.0 -63.62 0.89 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.254 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.5 104.45 7.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.954 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.526 HG23 ' HB2' ' A' ' 50' ' ' ALA . 0.6 OUTLIER -136.52 124.65 23.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.367 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.68 ' CZ2' ' ND1' ' A' ' 15' ' ' HIS . 0.8 OUTLIER -124.54 178.54 5.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 108.01 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.668 HG22 HD21 ' A' ' 32' ' ' LEU . 18.8 m -154.56 110.64 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.085 . . . . 0.0 109.322 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.594 HG22 ' HB ' ' A' ' 29' ' ' VAL . 1.1 pp -60.83 130.67 25.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.53 1.144 . . . . 0.0 109.364 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.452 HD12 ' HB2' ' A' ' 26' ' ' HIS . 2.3 pp -165.7 130.15 2.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.452 ' HB2' HD12 ' A' ' 25' ' ' LEU . 0.5 OUTLIER 70.18 19.01 6.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.624 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 19.3 t60 69.84 36.99 1.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 109.562 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.624 ' O ' ' CD1' ' A' ' 30' ' ' TYR . 0.2 OUTLIER -164.06 94.57 0.75 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.446 1.091 . . . . 0.0 109.334 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.928 HG13 HG12 ' A' ' 76' ' ' ILE . 2.7 p -58.68 146.93 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 1.174 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 19.9 m-85 -118.91 136.16 54.2 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.525 1.141 . . . . 0.0 111.063 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.615 ' CB ' HG22 ' A' ' 76' ' ' ILE . 6.3 t0 -91.6 78.55 5.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.668 HD21 HG22 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -86.16 15.4 5.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.405 ' HA ' HD12 ' A' ' 36' ' ' LEU . 0.6 OUTLIER -64.02 -19.9 65.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 0.0 110.31 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.0 tptp -90.39 -54.93 3.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.602 ' CZ ' ' HB2' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -81.79 8.93 8.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 111.046 179.912 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.949 ' HG ' HD12 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -51.4 -35.49 39.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -85.15 -22.74 28.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.236 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -83.29 -2.76 56.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.443 1.089 . . . . 0.0 110.246 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.71 ' ND1' HD21 ' A' ' 46' ' ' LEU . 30.0 t-80 -88.07 132.3 40.23 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.575 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.63 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.4 Cg_endo -75.0 -10.23 21.12 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.494 1.786 . . . . 0.0 111.015 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.6 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -65.33 -81.14 0.13 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.47 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.13 -163.96 28.37 Favored Glycine 0 CA--C 1.531 1.066 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -115.57 -17.36 11.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 0.803 . . . . 0.0 110.305 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.568 ' O ' ' N ' ' A' ' 48' ' ' GLU . 1.3 pm0 -109.6 -32.38 7.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.314 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.503 ' O ' ' HB3' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -56.85 -40.55 72.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.949 HD12 ' HG ' ' A' ' 36' ' ' LEU . 6.2 mt -64.89 -63.12 1.19 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.56 1.162 . . . . 0.0 109.223 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.535 ' CG ' ' HA ' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -61.85 -22.74 65.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.237 -179.933 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.568 ' N ' ' O ' ' A' ' 44' ' ' GLU . 1.2 tt0 -54.41 -32.92 58.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.286 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 67.0 mm-40 -114.46 18.69 16.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.36 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.526 ' HB2' HG23 ' A' ' 21' ' ' THR . . . -86.87 68.98 10.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.16 -37.63 0.03 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.457 1.098 . . . . 0.0 111.017 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -121.55 -125.63 3.18 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.418 ' HA ' HG13 ' A' ' 24' ' ' ILE . 8.7 p-10 -109.86 118.2 35.85 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.498 0.764 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.565 ' HB3' ' HB ' ' A' ' 23' ' ' VAL . . . -100.15 -14.04 18.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 109.345 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.491 ' HA ' ' HB3' ' A' ' 58' ' ' PHE . 0.7 OUTLIER -49.86 -35.56 23.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 110.36 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.11 -47.27 80.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -79.81 -30.9 40.63 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.429 1.081 . . . . 0.0 109.237 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.561 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 0.7 OUTLIER -70.44 -39.8 74.13 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.475 1.109 . . . . 0.0 110.981 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.426 ' CD ' ' C ' ' A' ' 59' ' ' GLU . 2.2 pp20? -78.03 -20.77 51.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -59.42 -55.42 34.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.446 1.091 . . . . 0.0 109.283 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -62.76 -19.54 23.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 69.42 78.61 0.34 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.505 1.128 . . . . 0.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.468 ' ND1' ' O ' ' A' ' 58' ' ' PHE . 56.0 m80 -71.02 140.16 50.71 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.464 0.743 . . . . 0.0 109.592 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 21.6 m -62.71 167.74 4.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.578 1.174 . . . . 0.0 109.973 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.1 t -75.67 -9.77 58.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.412 1.07 . . . . 0.0 110.403 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.426 ' O ' HD23 ' A' ' 70' ' ' LEU . 45.8 m-20 -88.14 -1.33 57.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.1 t -82.65 -38.92 15.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.22 -19.48 65.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.327 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -98.78 -24.29 15.07 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.458 1.099 . . . . 0.0 110.351 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.426 HD23 ' O ' ' A' ' 66' ' ' ASP . 0.3 OUTLIER -55.12 -66.6 0.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 39.1 m -79.1 69.85 5.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.959 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.5 mtpt -86.06 -48.79 8.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.7 m -84.45 -32.15 24.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 110.377 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.44 ' O ' ' C ' ' A' ' 75' ' ' ILE . 17.3 m-85 -60.63 -39.53 88.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 111.019 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 1.174 HD11 ' CZ ' ' A' ' 30' ' ' TYR . 0.8 OUTLIER -35.78 139.87 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.337 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.928 HG12 HG13 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -102.58 -44.28 9.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.63 ' CA ' HG21 ' A' ' 4' ' ' VAL . . . 157.14 -110.77 0.46 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.49 1.119 . . . . 0.0 110.956 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.404 ' HG2' HG11 ' A' ' 4' ' ' VAL . 8.8 pt-20 -170.16 119.48 0.6 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.42 0.718 . . . . 0.0 110.31 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.965 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -59.08 157.66 9.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.353 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.592 ' HB2' HG22 ' A' ' 8' ' ' THR . 4.4 t-80 -36.45 139.09 0.46 Allowed Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.502 1.126 . . . . 0.0 109.625 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 80' ' ' HIS . 18.3 Cg_endo -75.01 -29.64 8.0 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.493 1.786 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.427 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 0.4 OUTLIER -74.48 -31.88 62.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.423 ' OD2' HD11 ' A' ' 9' ' ' LEU . 3.4 m-20 -86.74 -17.73 32.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.775 ' HB2' HD11 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -69.81 -30.26 67.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.366 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.1 t -90.49 -11.45 40.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.977 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 28.1 mttp -84.34 -28.83 26.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 45.9 mt -61.27 -13.85 9.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 -179.986 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.431 HG11 ' HG2' ' A' ' 78' ' ' GLU . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.631 ' O ' ' CZ ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -93.7 122.62 36.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.536 ' HB3' ' CD2' ' A' ' 80' ' ' HIS . 64.0 m-85 -85.63 98.79 10.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.969 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.631 ' CZ ' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -104.89 128.74 53.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.411 1.069 . . . . 0.0 111.019 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.495 ' HA ' HD23 ' A' ' 79' ' ' LEU . 44.0 p -76.34 165.33 25.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.409 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.421 ' H ' ' CD1' ' A' ' 9' ' ' LEU . 6.8 mp -42.31 -32.86 0.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.32 -21.86 1.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -98.41 -56.32 2.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.103 . . . . 0.0 110.302 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.499 ' CD1' ' HB2' ' A' ' 79' ' ' LEU . 2.7 mp -55.45 -35.64 38.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 109.286 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.411 ' OE1' ' CA ' ' A' ' 51' ' ' GLY . 11.0 mm100 -55.51 -37.02 67.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.137 . . . . 0.0 110.386 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -75.04 -15.06 60.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.621 ' CE1' ' CH2' ' A' ' 22' ' ' TRP . 39.5 m80 -104.26 49.18 0.82 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 109.563 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.16 49.84 0.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -148.9 166.53 28.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.7 p -52.53 -46.64 66.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.032 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -43.86 -57.61 3.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.416 1.073 . . . . 0.0 109.25 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 15' ' ' HIS . 0.1 OUTLIER -139.47 102.69 4.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.09 . . . . 0.0 110.041 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -125.35 121.28 33.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 110.43 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.621 ' CH2' ' CE1' ' A' ' 15' ' ' HIS . 2.1 m0 -122.23 179.54 4.52 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 1.065 HG22 HD21 ' A' ' 32' ' ' LEU . 30.7 m -156.63 107.2 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.407 1.067 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.614 HG22 ' O ' ' A' ' 52' ' ' GLY . 0.2 OUTLIER -63.79 107.54 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.536 HD23 HG23 ' A' ' 23' ' ' VAL . 4.3 pp -131.59 140.89 49.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.158 . . . . 0.0 109.203 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 53.78 35.33 21.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.586 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.4 ' C ' ' HG3' ' A' ' 28' ' ' LYS . 19.4 m-70 66.66 10.48 7.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.615 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.435 ' O ' ' O ' ' A' ' 25' ' ' LEU . 24.2 mtpt -131.48 116.49 17.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.945 HG13 HG12 ' A' ' 76' ' ' ILE . 4.1 p -82.32 141.44 15.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.412 1.07 . . . . 0.0 109.259 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 1.07 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 4.2 m-85 -119.6 137.62 53.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.467 ' N ' ' CG2' ' A' ' 76' ' ' ILE . 9.0 t70 -92.47 81.03 4.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.358 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 1.065 HD21 HG22 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -86.13 20.08 2.44 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.3 -22.64 63.78 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 0.0 110.336 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.9 tptt -89.93 -51.65 5.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.632 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -83.14 10.09 9.02 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.433 1.083 . . . . 0.0 111.044 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.963 ' HG ' HD12 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -54.84 -43.68 73.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.137 . . . . 0.0 109.305 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.84 -23.2 49.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.3 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -81.74 -5.49 58.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 110.27 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.746 ' ND1' HD21 ' A' ' 46' ' ' LEU . 24.4 t-80 -88.02 130.84 44.88 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 109.512 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.619 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.2 Cg_endo -75.06 -7.14 18.84 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.499 1.789 . . . . 0.0 111.015 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.579 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -66.06 -82.71 0.11 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.45 1.094 . . . . 0.0 111.007 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.507 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.21 -164.41 29.15 Favored Glycine 0 CA--C 1.529 0.952 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.45 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 20.2 tt0 -119.71 -21.29 7.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 0.785 . . . . 0.0 110.26 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -109.94 6.65 23.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.258 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.581 HG22 HD23 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -100.24 -44.05 11.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.345 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.963 HD12 ' HG ' ' A' ' 36' ' ' LEU . 6.5 mt -60.73 -57.22 13.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.1 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.671 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -64.6 -27.31 68.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.394 1.059 . . . . 0.0 110.314 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -45.29 -29.5 1.03 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.127 . . . . 0.0 110.336 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -120.22 30.22 7.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 110.36 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.671 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -86.98 59.99 5.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.166 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.411 ' CA ' ' OE1' ' A' ' 13' ' ' GLN . . . -169.85 -37.14 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.485 1.116 . . . . 0.0 110.924 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.614 ' O ' HG22 ' A' ' 24' ' ' ILE . . . -110.48 -137.68 7.63 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.459 ' HB2' HG22 ' A' ' 55' ' ' THR . 8.3 p-10 -109.69 116.06 31.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 0.77 . . . . 0.0 109.346 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.522 ' HB3' ' HB ' ' A' ' 23' ' ' VAL . . . -90.58 -15.12 31.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.459 HG22 ' HB2' ' A' ' 53' ' ' ASP . 0.5 OUTLIER -49.72 -27.4 4.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.43 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.57 -43.33 63.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -82.79 -32.35 27.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.531 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 1.6 t80 -69.07 -39.77 78.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 111.002 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.434 ' CG ' ' O ' ' A' ' 55' ' ' THR . 1.9 pp20? -78.57 -19.38 52.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.083 . . . . 0.0 110.303 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -64.79 -55.68 18.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -61.69 -20.19 22.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.254 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.04 80.65 0.18 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.484 1.115 . . . . 0.0 110.931 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.686 ' HB3' HG21 ' A' ' 67' ' ' VAL . 70.2 m80 -70.3 135.18 48.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 0.77 . . . . 0.0 109.573 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.41 ' O ' ' HB ' ' A' ' 67' ' ' VAL . 0.2 OUTLIER -54.58 170.27 0.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.005 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.8 m -70.74 -25.86 63.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.334 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.33 -9.9 57.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.354 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.686 HG21 ' HB3' ' A' ' 63' ' ' HIS . 0.3 OUTLIER -70.58 -30.67 43.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -62.89 -36.0 81.87 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.527 1.142 . . . . 0.0 110.236 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -99.09 29.17 4.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 110.32 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.435 HD22 ' HA ' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -97.24 -66.87 0.87 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.339 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 15.0 m -85.75 66.73 9.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.002 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.29 -51.58 11.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.9 m -87.45 -42.95 12.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 110.368 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.503 ' CE2' ' CB ' ' A' ' 35' ' ' PHE . 21.0 m-30 -44.69 -36.79 3.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 111.012 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 1.07 HD11 ' CZ ' ' A' ' 30' ' ' TYR . 1.1 mm -39.2 140.94 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.607 1.192 . . . . 0.0 109.254 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.945 HG12 HG13 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -105.87 -45.38 8.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 151.16 -119.87 1.04 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.525 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 1.6 pt-20 -147.64 121.22 9.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 0.794 . . . . 0.0 110.363 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.966 HD13 ' H ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -42.88 -46.37 5.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 109.32 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.966 ' H ' HD13 ' A' ' 79' ' ' LEU . 4.8 t-80 172.32 145.38 0.16 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.61 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.555 ' HD2' ' CG ' ' A' ' 80' ' ' HIS . 18.3 Cg_endo -75.05 -28.29 9.21 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.492 1.785 . . . . 0.0 110.971 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.09 -61.55 1.95 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.519 ' HB2' HD21 ' A' ' 79' ' ' LEU . 1.0 OUTLIER -59.87 -18.26 43.02 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.567 1.167 . . . . 0.0 109.3 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.507 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -63.85 -33.7 76.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 0.0 110.259 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 85' ' ' SER . . . . . 0.475 ' N ' ' HD3' ' A' ' 84' ' ' ARG . 28.4 t -92.44 -9.98 39.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 110.031 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -73.94 -43.27 58.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.574 1.171 . . . . 0.0 109.29 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.406 ' O ' ' C ' ' A' ' 88' ' ' ALA . 4.1 mm -67.17 -18.12 23.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 87' ' ' ILE . . . . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.097 . . . . 0.0 109.287 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.637 HG21 ' CA ' ' A' ' 77' ' ' GLY . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.499 ' HB3' ' CE2' ' A' ' 7' ' ' TYR . 1.8 tttt -84.7 136.76 33.59 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.494 1.121 . . . . 0.0 109.254 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -94.19 93.83 8.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 110.975 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.566 ' CG ' ' OE2' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -102.35 129.97 48.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 110.965 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.776 HG22 ' CB ' ' A' ' 80' ' ' HIS . 35.8 p -80.66 162.35 24.23 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 1.091 . . . . 0.0 110.392 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.874 HD21 HD11 ' A' ' 87' ' ' ILE . 1.0 OUTLIER -35.19 -43.01 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.342 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 9' ' ' LEU . 4.6 tt0 -37.3 -29.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.366 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.566 ' OE2' ' CG ' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -95.17 -53.45 3.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.341 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.843 HD11 ' HB3' ' A' ' 79' ' ' LEU . 28.1 mt -52.54 -34.49 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.326 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.558 ' CG ' ' O ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -81.96 -25.11 35.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.265 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.21 -13.19 60.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.471 ' ND1' ' CZ2' ' A' ' 22' ' ' TRP . 6.6 m170 -119.29 57.65 0.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.525 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.405 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 4.0 ttpp -109.76 66.54 0.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.457 ' H ' ' HG1' ' A' ' 21' ' ' THR . 0.8 OUTLIER -160.08 153.51 22.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.436 ' O ' ' OG1' ' A' ' 33' ' ' THR . 0.3 OUTLIER -40.77 -54.48 2.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.1 . . . . 0.0 110.006 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 18' ' ' SER . 0.7 OUTLIER -39.62 -61.59 0.8 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.79 107.76 7.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 0.0 109.981 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.795 HG21 ' HB3' ' A' ' 47' ' ' ARG . 1.5 m -139.77 129.81 24.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.381 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.659 ' O ' HG13 ' A' ' 23' ' ' VAL . 0.3 OUTLIER -129.13 -173.41 2.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 108.018 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.659 HG13 ' O ' ' A' ' 22' ' ' TRP . 18.9 m -159.73 117.28 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.767 HD13 ' C ' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -74.6 112.49 11.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.414 1.072 . . . . 0.0 109.247 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.532 HD12 ' O ' ' A' ' 25' ' ' LEU . 3.8 pp -126.69 119.37 26.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.084 . . . . 0.0 109.272 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 62.95 38.09 11.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.564 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.537 ' CG ' ' HG3' ' A' ' 84' ' ' ARG . 3.4 m-70 67.38 22.16 9.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.55 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.3 mmtt -135.68 108.39 7.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 109.285 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.97 HG13 HG12 ' A' ' 76' ' ' ILE . 4.1 p -84.55 141.35 14.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 1.101 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 8.1 m-85 -124.91 132.26 53.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 111.023 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.517 ' OD1' HG22 ' A' ' 33' ' ' THR . 5.3 t0 -90.23 82.04 6.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.343 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.543 HD23 ' O ' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -90.41 24.17 2.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.17 . . . . 0.0 109.321 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.517 HG22 ' OD1' ' A' ' 31' ' ' ASP . 1.2 t -69.64 -18.79 63.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.431 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.6 tptm -90.14 -54.58 3.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.269 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.591 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -81.37 10.1 6.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 0.0 111.002 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.982 ' HG ' HD12 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -56.41 -41.8 76.92 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.44 1.087 . . . . 0.0 109.266 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.04 -28.27 54.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -81.52 -0.93 44.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.766 ' ND1' HD21 ' A' ' 46' ' ' LEU . 28.7 t-80 -89.65 132.16 37.68 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.668 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.624 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.2 Cg_endo -74.97 -18.39 18.85 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.489 1.784 . . . . 0.0 111.052 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.604 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -56.78 -81.9 0.06 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.462 1.101 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.18 -162.48 25.95 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.405 ' O ' ' CG ' ' A' ' 43' ' ' GLU . 10.3 tt0 -119.14 -13.44 9.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.775 . . . . 0.0 110.319 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.547 ' HA ' ' CG ' ' A' ' 47' ' ' ARG . 1.1 pm0 -113.05 -27.21 8.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.588 1.18 . . . . 0.0 110.309 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.416 ' O ' ' HB2' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -63.52 -45.18 98.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 109.333 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.982 HD12 ' HG ' ' A' ' 36' ' ' LEU . 4.3 mt -60.14 -59.26 5.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.342 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.795 ' HB3' HG21 ' A' ' 21' ' ' THR . 7.2 ptm180 -64.16 -25.23 67.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.268 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 44' ' ' GLU . 0.7 OUTLIER -46.12 -30.01 1.75 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.285 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.545 ' CB ' ' HB2' ' A' ' 54' ' ' ALA . 16.1 mm100 -116.21 31.21 6.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.312 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.726 ' HB2' HG23 ' A' ' 21' ' ' THR . . . -88.94 53.19 2.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.351 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.05 -34.51 0.02 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.528 ' O ' HG22 ' A' ' 24' ' ' ILE . . . -114.98 -133.04 5.39 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -109.67 121.41 45.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 0.782 . . . . 0.0 109.334 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.545 ' HB2' ' CB ' ' A' ' 49' ' ' GLN . . . -96.41 -16.34 21.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.443 ' HB ' ' HA ' ' A' ' 25' ' ' LEU . 0.5 OUTLIER -49.52 -29.96 7.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.365 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.14 -44.91 67.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.565 1.166 . . . . 0.0 110.29 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.402 ' O ' ' HB3' ' A' ' 60' ' ' ASP . 2.6 m120 -81.04 -32.19 34.2 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.545 ' CE1' ' HB2' ' A' ' 63' ' ' HIS . 1.5 t80 -69.87 -40.01 75.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 110.967 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.411 ' CG ' ' O ' ' A' ' 55' ' ' THR . 2.1 pp20? -78.2 -19.81 53.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.414 1.071 . . . . 0.0 110.276 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.402 ' HB3' ' O ' ' A' ' 57' ' ' ASN . 1.6 t70 -61.08 -53.78 52.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.367 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -67.68 -16.22 20.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 65.51 80.88 0.14 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.492 1.12 . . . . 0.0 111.033 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.545 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 64.7 m80 -74.46 139.96 44.28 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 0.781 . . . . 0.0 109.588 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.405 ' O ' ' HB ' ' A' ' 67' ' ' VAL . 53.4 m -64.4 168.86 5.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.025 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.2 t -74.7 -11.26 60.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.427 1.079 . . . . 0.0 110.432 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.713 ' O ' HD23 ' A' ' 70' ' ' LEU . 1.8 p-10 -86.26 -2.43 58.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.336 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.415 HG11 ' CZ ' ' A' ' 58' ' ' PHE . 1.2 t -84.04 -38.27 13.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -63.28 -26.87 68.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 110.346 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -91.44 -34.62 14.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.372 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.713 HD23 ' O ' ' A' ' 66' ' ' ASP . 0.5 OUTLIER -48.4 -56.91 6.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.254 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 80.0 p -81.65 72.46 8.69 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.48 1.113 . . . . 0.0 109.99 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.95 -51.92 5.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 109.247 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.3 m -80.59 -37.7 30.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.393 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -56.17 -34.8 66.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 111.019 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 1.101 HD11 ' CZ ' ' A' ' 30' ' ' TYR . 1.0 OUTLIER -42.61 140.65 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.97 HG12 HG13 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -104.67 -45.85 9.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.273 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.637 ' CA ' HG21 ' A' ' 4' ' ' VAL . . . 157.21 -111.0 0.47 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.453 1.095 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -169.01 119.68 0.73 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.531 0.783 . . . . 0.0 110.257 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.897 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -53.21 159.16 1.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.269 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.776 ' CB ' HG22 ' A' ' 8' ' ' THR . 2.2 t-80 -35.26 141.27 0.29 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.414 1.071 . . . . 0.0 109.577 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 80' ' ' HIS . 18.1 Cg_endo -75.0 -27.13 10.27 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.578 1.83 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -71.72 -48.15 49.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.411 ' CG ' ' HB ' ' A' ' 8' ' ' THR . 1.1 m-20 -65.6 -29.86 70.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.102 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.537 ' HG3' ' CG ' ' A' ' 27' ' ' HIS . 0.0 OUTLIER -60.54 -38.2 83.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.281 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 29.3 t -72.7 -12.72 61.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.075 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -93.43 -21.43 19.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.335 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.874 HD11 HD21 ' A' ' 9' ' ' LEU . 20.2 mm -67.48 -7.41 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 109.232 -179.946 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.661 HG21 ' HA3' ' A' ' 77' ' ' GLY . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.682 ' HG2' ' CE2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -93.51 136.25 33.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -79.8 104.49 10.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 111.046 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.682 ' CE2' ' HG2' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -106.92 129.79 54.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.957 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.771 HG22 ' HB2' ' A' ' 80' ' ' HIS . 39.2 p -82.17 156.9 24.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 110.449 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.484 HD21 HD11 ' A' ' 87' ' ' ILE . 1.6 mp -35.15 -38.17 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.425 1.078 . . . . 0.0 109.346 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 8' ' ' THR . 7.8 tt0 -39.03 -29.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 110.277 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 9' ' ' LEU . 4.5 mm-40 -95.23 -54.64 3.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.269 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.423 HD11 ' HB3' ' A' ' 79' ' ' LEU . 73.8 mt -49.93 -40.07 16.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.536 1.147 . . . . 0.0 109.267 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.418 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 7.9 mm-40 -59.37 -39.69 84.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 110.318 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.8 -5.84 40.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.561 1.163 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.43 ' O ' ' O ' ' A' ' 20' ' ' SER . 22.7 m80 -114.67 48.0 1.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 0.0 109.563 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.23 65.37 0.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.44 ' H ' ' HG1' ' A' ' 21' ' ' THR . 1.3 t0 -159.8 153.49 22.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.337 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.403 ' O ' ' OG1' ' A' ' 33' ' ' THR . 66.7 p -42.09 -50.45 4.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.991 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.52 -61.17 1.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.43 ' O ' ' O ' ' A' ' 15' ' ' HIS . 0.2 OUTLIER -133.5 102.59 5.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.041 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.834 HG23 ' HB2' ' A' ' 50' ' ' ALA . 1.3 m -132.29 117.07 17.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 110.427 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.705 ' O ' HG13 ' A' ' 23' ' ' VAL . 1.5 m0 -116.82 -173.81 2.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 108.039 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.834 HG22 HD21 ' A' ' 32' ' ' LEU . 3.2 m -160.04 111.06 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.241 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.522 ' CG2' ' O ' ' A' ' 52' ' ' GLY . 0.0 OUTLIER -66.14 111.69 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 109.368 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.566 HD12 ' HB2' ' A' ' 26' ' ' HIS . 0.6 OUTLIER -143.24 150.89 39.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.566 ' HB2' HD12 ' A' ' 25' ' ' LEU . 9.0 m170 52.98 29.41 7.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.644 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.576 ' CG ' ' O ' ' A' ' 27' ' ' HIS . 0.2 OUTLIER 70.15 6.62 5.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.587 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.555 ' O ' ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -135.3 119.65 17.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.142 . . . . 0.0 109.311 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.891 HG13 HG12 ' A' ' 76' ' ' ILE . 2.7 p -79.55 144.27 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.977 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 4.3 m-85 -120.91 139.72 52.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 111.028 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.638 ' CB ' HG22 ' A' ' 76' ' ' ILE . 7.3 t70 -96.06 79.94 3.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.137 . . . . 0.0 109.354 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.834 HD21 HG22 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -89.68 26.04 1.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.45 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 0.6 OUTLIER -72.05 -20.92 61.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.102 . . . . 0.0 110.431 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.77 -53.58 4.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.416 1.073 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.655 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -82.81 10.62 7.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 111.032 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.45 ' CD1' ' HA ' ' A' ' 33' ' ' THR . 0.2 OUTLIER -57.08 -39.14 74.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.83 -20.44 39.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.297 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -85.67 -2.28 58.03 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 110.318 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.604 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 26.5 t-80 -91.66 130.87 37.48 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.543 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.604 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.4 Cg_endo -74.91 -9.56 20.95 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.528 1.804 . . . . 0.0 111.017 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.599 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -61.06 -80.39 0.1 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.512 1.132 . . . . 0.0 111.015 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.471 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.1 -167.99 34.4 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.464 ' O ' ' CG ' ' A' ' 43' ' ' GLU . 11.3 tt0 -121.72 -9.64 8.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 0.743 . . . . 0.0 110.253 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.547 ' O ' ' CG ' ' A' ' 44' ' ' GLU . 4.2 tt0 -120.71 -2.41 9.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.209 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.471 ' CG1' ' HA3' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -99.83 -29.04 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.419 HD23 ' N ' ' A' ' 46' ' ' LEU . 1.2 mt -77.1 -35.47 56.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 109.311 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.615 ' HB3' HG21 ' A' ' 21' ' ' THR . 7.2 ptm180 -87.53 -22.71 24.7 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.131 . . . . 0.0 110.392 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -53.28 -30.13 36.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.314 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.567 ' CB ' ' HB2' ' A' ' 54' ' ' ALA . 37.3 mm-40 -100.95 9.88 41.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 110.373 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.834 ' HB2' HG23 ' A' ' 21' ' ' THR . . . -78.6 57.91 2.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.04 -36.85 0.03 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.461 1.101 . . . . 0.0 110.979 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.522 ' O ' ' CG2' ' A' ' 24' ' ' ILE . . . -122.7 -124.89 3.01 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.67 122.33 47.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 0.753 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.567 ' HB2' ' CB ' ' A' ' 49' ' ' GLN . . . -91.55 -18.86 23.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.413 1.07 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.486 ' HA ' ' HB3' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -49.46 -48.85 47.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.435 179.939 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -48.53 -29.04 3.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.507 ' O ' ' HB3' ' A' ' 60' ' ' ASP . 1.9 m-20 -100.01 -48.23 4.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.6 ' CD1' ' CE1' ' A' ' 63' ' ' HIS . 18.2 t80 -56.8 -39.47 74.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.143 . . . . 0.0 110.959 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.485 ' HB2' ' O ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -82.02 -23.85 35.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.273 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.507 ' HB3' ' O ' ' A' ' 57' ' ' ASN . 10.4 t70 -56.95 -58.38 8.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.45 ' H ' HG12 ' A' ' 61' ' ' VAL . 0.4 OUTLIER -59.89 -17.18 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 65.87 79.06 0.2 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.493 1.121 . . . . 0.0 111.046 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.6 ' CE1' ' CD1' ' A' ' 58' ' ' PHE . 53.8 m80 -74.73 140.05 43.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.441 0.73 . . . . 0.0 109.698 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.51 164.05 10.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 0.0 109.977 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.3 t -73.72 -13.29 60.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.42 1.075 . . . . 0.0 110.407 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -87.2 0.57 55.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.4 ' O ' ' HB2' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -70.07 -21.99 24.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.423 1.077 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -63.39 -24.4 67.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.269 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -69.69 -30.44 68.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 67' ' ' VAL . 1.1 mm? -59.83 -72.6 0.1 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.407 1.067 . . . . 0.0 109.28 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 51.6 p -76.84 114.53 15.71 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.561 1.163 . . . . 0.0 109.923 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.95 -68.41 0.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.235 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.5 m -87.98 -23.11 23.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 110.391 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.414 ' O ' ' C ' ' A' ' 75' ' ' ILE . 18.5 m-85 -56.38 -37.28 69.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 111.008 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.977 HD11 ' CZ ' ' A' ' 30' ' ' TYR . 0.8 OUTLIER -38.64 140.21 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.891 HG12 HG13 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -99.53 -49.44 11.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.275 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.661 ' HA3' HG21 ' A' ' 4' ' ' VAL . . . 161.45 -111.15 0.47 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.507 1.129 . . . . 0.0 110.958 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -167.66 119.72 0.89 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 0.778 . . . . 0.0 110.269 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.931 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -59.99 157.63 12.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.328 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.771 ' HB2' HG22 ' A' ' 8' ' ' THR . 1.9 t-80 -35.99 136.97 0.49 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 0.0 109.638 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -19.55 17.84 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.548 1.815 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -79.46 -39.23 32.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.92 -27.68 54.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.783 ' HB2' HD11 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -62.6 -33.48 75.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.314 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.3 t -89.7 -3.44 58.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.975 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 33.1 mttt -88.84 -30.35 19.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.413 1.071 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.484 HD11 HD21 ' A' ' 9' ' ' LEU . 59.3 mt -65.19 -11.36 11.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.302 -180.0 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.622 HG21 ' HA2' ' A' ' 77' ' ' GLY . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.238 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.528 ' O ' ' CE2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -92.69 135.04 34.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.256 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -89.73 94.63 9.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.142 . . . . 0.0 111.008 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.528 ' CE2' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -105.34 129.78 53.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.982 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.794 HG22 ' HB2' ' A' ' 80' ' ' HIS . 43.4 p -79.42 159.09 27.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.462 1.101 . . . . 0.0 110.393 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.532 ' CD1' HD23 ' A' ' 79' ' ' LEU . 2.4 mp -39.79 -33.85 0.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -46.12 -24.72 0.48 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.442 1.089 . . . . 0.0 110.308 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 14' ' ' LYS . 18.7 mm-40 -98.88 -57.52 2.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.345 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.527 HD12 ' H ' ' A' ' 12' ' ' ILE . 3.8 mp -46.55 -39.73 4.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.146 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.447 ' NE2' ' O ' ' A' ' 51' ' ' GLY . 57.2 mm-40 -55.09 -34.48 63.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 110.325 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 11' ' ' GLU . 0.6 OUTLIER -74.71 -7.55 53.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -179.902 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.593 ' CD2' ' CH2' ' A' ' 22' ' ' TRP . 90.3 m-70 -107.82 44.85 1.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.595 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.5 tttm -109.92 53.07 0.7 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.576 1.173 . . . . 0.0 109.293 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -149.88 169.71 20.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.582 1.176 . . . . 0.0 109.245 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.45 -53.86 53.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.933 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.22 -41.13 36.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 109.266 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.72 110.64 6.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.007 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.682 HG21 HD11 ' A' ' 36' ' ' LEU . 0.8 OUTLIER -141.05 116.82 10.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.43 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.698 ' O ' HG13 ' A' ' 23' ' ' VAL . 14.0 m0 -117.53 -177.84 3.33 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.536 1.148 . . . . 0.0 108.041 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.698 HG13 ' O ' ' A' ' 22' ' ' TRP . 2.9 m -160.18 102.83 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.265 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.605 HG22 ' O ' ' A' ' 52' ' ' GLY . 5.0 tt -62.01 116.27 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.231 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.593 HD12 ' O ' ' A' ' 25' ' ' LEU . 4.3 pp -137.69 122.75 19.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.255 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.437 ' O ' ' HB3' ' A' ' 27' ' ' HIS . 67.9 m-70 63.67 36.7 10.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.575 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.517 ' CG ' ' HG3' ' A' ' 84' ' ' ARG . 3.4 t60 68.58 5.01 4.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.679 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.416 ' NZ ' ' OE1' ' A' ' 78' ' ' GLU . 3.6 mptp? -118.42 114.54 23.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.929 HG13 HG12 ' A' ' 76' ' ' ILE . 7.3 p -85.52 136.9 21.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.797 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 4.0 m-85 -117.79 139.18 51.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 111.018 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.645 ' CB ' HG22 ' A' ' 76' ' ' ILE . 9.0 t0 -100.31 83.31 2.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.425 1.078 . . . . 0.0 109.255 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.814 HD22 ' CBB' ' A' ' 95' ' ' HEM . 0.1 OUTLIER -91.87 22.44 4.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.484 ' HA ' HD12 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -67.17 -19.69 65.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.589 1.181 . . . . 0.0 110.381 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.01 -54.43 4.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.614 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -80.7 7.79 9.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.945 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.682 HD11 HG21 ' A' ' 21' ' ' THR . 0.2 OUTLIER -53.98 -41.89 68.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.253 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.36 -21.75 45.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.79 -2.43 56.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.423 1.077 . . . . 0.0 110.312 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.597 ' HB2' ' CZ ' ' A' ' 35' ' ' PHE . 23.3 t-80 -91.14 129.61 43.05 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.615 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.591 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.4 Cg_endo -74.9 -1.82 11.7 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.464 1.771 . . . . 0.0 110.979 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.579 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -70.07 -79.09 0.35 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.484 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -173.88 -169.57 36.27 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.415 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 12.5 tt0 -122.28 -13.97 7.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 0.787 . . . . 0.0 110.291 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -116.95 -2.64 11.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.632 1.208 . . . . 0.0 110.279 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.607 HG22 HD23 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -100.22 -28.97 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.607 HD23 HG22 ' A' ' 45' ' ' VAL . 4.6 mt -74.81 -37.99 62.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 109.305 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.484 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 3.8 ptm180 -84.17 -25.75 29.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 110.293 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.94 -23.71 2.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.298 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 74.4 mm-40 -116.54 23.26 12.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 110.281 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.484 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -85.51 58.08 4.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.447 ' O ' ' NE2' ' A' ' 13' ' ' GLN . . . -170.41 -36.77 0.03 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.526 1.141 . . . . 0.0 111.068 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.605 ' O ' HG22 ' A' ' 24' ' ' ILE . . . -110.75 -135.19 6.84 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.471 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -109.84 120.24 41.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.568 0.805 . . . . 0.0 109.319 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.655 ' HB3' ' HB ' ' A' ' 23' ' ' VAL . . . -93.82 -16.36 24.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.362 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.44 ' HA ' ' HB3' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -49.73 -32.09 12.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.389 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.89 -45.31 74.82 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.546 1.154 . . . . 0.0 110.279 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.466 ' HB3' ' CBC' ' A' ' 95' ' ' HEM . 7.5 m-20 -80.4 -34.02 36.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 109.274 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.572 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 0.9 OUTLIER -66.03 -39.78 90.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.963 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.404 ' CD ' ' C ' ' A' ' 59' ' ' GLU . 2.2 pp20? -79.73 -21.9 43.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.418 1.074 . . . . 0.0 110.296 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -61.91 -57.24 12.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.413 1.071 . . . . 0.0 109.317 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.462 HG12 ' O ' ' A' ' 57' ' ' ASN . 0.7 OUTLIER -59.89 -18.21 14.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.571 1.169 . . . . 0.0 109.298 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 66.63 78.59 0.24 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.46 1.1 . . . . 0.0 110.981 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.461 ' ND1' ' O ' ' A' ' 58' ' ' PHE . 47.9 m80 -73.05 139.94 46.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 0.75 . . . . 0.0 109.542 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.8 158.45 0.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.019 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 40.0 p -73.43 -13.25 61.04 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.132 . . . . 0.0 110.44 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.422 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 6.2 m-20 -95.35 13.13 26.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.258 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.431 HG11 ' HB3' ' A' ' 63' ' ' HIS . 0.3 OUTLIER -85.36 -25.88 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.409 ' CG ' ' N ' ' A' ' 69' ' ' GLU . 9.4 ptm180 -59.29 -41.99 90.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 66' ' ' ASP . 5.1 pt-20 -75.3 -21.23 58.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.426 1.079 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.32 -73.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.409 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 30.7 t -81.28 121.43 26.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.973 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.409 ' HD2' ' HA ' ' A' ' 69' ' ' GLU . 0.1 OUTLIER -138.33 -58.13 0.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.8 m -72.98 -26.12 61.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 110.371 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.42 ' O ' ' C ' ' A' ' 75' ' ' ILE . 20.8 m-85 -71.75 -36.2 70.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 111.026 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.797 HD11 ' CZ ' ' A' ' 30' ' ' TYR . 0.5 OUTLIER -37.97 150.78 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.409 1.068 . . . . 0.0 109.3 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.929 HG12 HG13 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -109.57 -45.45 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.622 ' HA2' HG21 ' A' ' 4' ' ' VAL . . . 154.88 -112.38 0.52 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.456 1.097 . . . . 0.0 111.023 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.511 ' HG2' HG11 ' A' ' 4' ' ' VAL . 4.6 pt-20 -167.03 119.46 0.95 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 0.742 . . . . 0.0 110.293 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.924 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -52.64 160.14 0.94 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.794 ' HB2' HG22 ' A' ' 8' ' ' THR . 2.0 t-80 -37.82 139.38 0.6 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.553 1.158 . . . . 0.0 109.658 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -21.51 15.85 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.416 1.745 . . . . 0.0 111.037 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -78.12 -37.63 45.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 109.331 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.69 -27.63 40.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.808 ' HB2' HD11 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -62.36 -35.31 78.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 110.223 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.0 m -83.99 -5.5 59.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 109.976 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.05 -27.94 22.87 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.527 1.142 . . . . 0.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.499 HD11 HD21 ' A' ' 9' ' ' LEU . 7.6 mm -71.65 -5.6 6.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.429 1.081 . . . . 0.0 109.204 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.411 1.07 . . . . 0.0 109.304 -179.998 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 95' ' ' HEM . . . . . 0.814 ' CBB' HD22 ' A' ' 32' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.63 HG21 ' CA ' ' A' ' 77' ' ' GLY . 1.1 t . . . . . 0 N--CA 1.452 -0.37 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.567 ' HB3' ' CE2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -88.27 134.91 33.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -90.19 91.48 8.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 110.984 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -101.95 129.67 48.28 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.482 1.114 . . . . 0.0 110.993 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.821 HG22 ' HB2' ' A' ' 80' ' ' HIS . 42.4 p -78.89 161.44 26.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.462 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.463 HD21 HD11 ' A' ' 87' ' ' ILE . 3.8 mp -39.89 -30.34 0.08 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.448 ' N ' ' C ' ' A' ' 8' ' ' THR . 1.4 tt0 -47.52 -24.11 0.78 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.161 . . . . 0.0 110.311 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -98.85 -56.95 2.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.212 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.8 mp -52.99 -32.21 18.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.41 1.069 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -59.55 -45.75 90.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 110.251 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.63 -4.55 34.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.618 ' CE1' ' CH2' ' A' ' 22' ' ' TRP . 42.1 m80 -104.84 43.5 1.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.649 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.3 ttmt -109.83 54.49 0.66 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 18' ' ' SER . 0.3 OUTLIER -146.44 146.74 30.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 17' ' ' ASP . 18.5 p -38.22 -42.66 0.71 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 110.003 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.63 -70.78 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.407 ' O ' ' O ' ' A' ' 15' ' ' HIS . 0.2 OUTLIER -123.06 97.78 5.59 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.102 . . . . 0.0 110.001 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.715 HG23 ' CB ' ' A' ' 50' ' ' ALA . 3.2 m -122.0 122.34 39.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.41 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.691 ' O ' HG13 ' A' ' 23' ' ' VAL . 1.6 m0 -122.8 -175.98 3.29 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.692 HG22 HD21 ' A' ' 32' ' ' LEU . 1.8 m -159.94 109.14 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.358 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.637 HG22 ' O ' ' A' ' 52' ' ' GLY . 0.2 OUTLIER -64.94 120.44 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.335 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.654 HD12 ' O ' ' A' ' 25' ' ' LEU . 4.3 pp -140.86 125.51 17.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 4.5 t60 59.15 42.16 19.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.543 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.568 ' HA ' HD11 ' A' ' 24' ' ' ILE . 8.7 m-70 61.87 19.68 10.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.578 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.1 mtpt -134.74 117.22 15.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.986 HG13 HG12 ' A' ' 76' ' ' ILE . 3.4 p -87.89 138.89 18.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.907 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 5.1 m-85 -120.54 131.98 54.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.59 ' CB ' HG22 ' A' ' 76' ' ' ILE . 11.6 t70 -92.59 83.44 4.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.242 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.692 HD21 HG22 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -91.51 24.62 2.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.425 ' HA ' HD12 ' A' ' 36' ' ' LEU . 0.7 OUTLIER -70.49 -22.0 62.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.382 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.1 -53.45 4.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.194 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.621 ' CZ ' ' HB2' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -79.69 5.83 12.32 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 110.96 -179.924 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.947 ' HG ' HD12 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -52.12 -37.36 53.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.377 179.93 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.38 -23.77 37.44 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.474 1.109 . . . . 0.0 110.319 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.97 -2.94 56.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.307 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.836 ' ND1' HD21 ' A' ' 46' ' ' LEU . 17.9 t-80 -89.31 128.23 52.11 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.565 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.593 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.3 Cg_endo -74.96 -6.19 17.76 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.447 1.762 . . . . 0.0 111.02 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.579 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -67.73 -81.84 0.17 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.455 1.097 . . . . 0.0 110.991 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.502 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.2 -165.23 30.45 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.444 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 18.9 tt0 -120.72 -22.01 6.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 0.756 . . . . 0.0 110.273 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -108.26 6.52 26.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.1 . . . . 0.0 110.33 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.718 HG22 HD23 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -100.17 -45.16 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.947 HD12 ' HG ' ' A' ' 36' ' ' LEU . 7.8 mt -59.82 -58.58 7.96 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.104 . . . . 0.0 109.372 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.7 ' HB3' HG21 ' A' ' 21' ' ' THR . 2.5 ptm180 -63.4 -27.88 69.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.392 1.058 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.57 -25.81 1.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.264 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.487 ' O ' HG12 ' A' ' 23' ' ' VAL . 14.5 mm100 -120.23 24.28 10.5 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.458 1.099 . . . . 0.0 110.281 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.715 ' CB ' HG23 ' A' ' 21' ' ' THR . . . -84.06 60.95 6.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -169.96 -38.02 0.03 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.531 1.144 . . . . 0.0 110.994 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.637 ' O ' HG22 ' A' ' 24' ' ' ILE . . . -111.78 -135.68 6.7 Favored Glycine 0 CA--C 1.531 1.055 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.462 ' HB2' HG22 ' A' ' 55' ' ' THR . 9.1 p-10 -109.78 117.41 33.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 0.768 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -89.7 -16.72 29.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.462 HG22 ' HB2' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -49.53 -26.66 3.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.379 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.04 -41.78 61.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.421 1.076 . . . . 0.0 110.208 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.473 ' HB3' ' CBC' ' A' ' 95' ' ' HEM . 5.5 m-20 -84.61 -32.42 23.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.559 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 1.0 OUTLIER -67.72 -39.67 84.29 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.499 1.125 . . . . 0.0 111.008 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.425 ' CG ' ' O ' ' A' ' 55' ' ' THR . 2.3 pp20? -77.68 -22.31 50.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.26 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.28 -57.58 10.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.466 1.104 . . . . 0.0 109.216 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.434 HG12 ' O ' ' A' ' 57' ' ' ASN . 0.6 OUTLIER -60.03 -18.1 15.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.1 79.07 0.23 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.513 1.133 . . . . 0.0 111.033 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.468 ' ND1' ' O ' ' A' ' 58' ' ' PHE . 52.1 m80 -74.79 139.96 43.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 0.764 . . . . 0.0 109.583 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.0 t -48.18 154.07 0.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.005 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.1 t -73.61 -26.62 60.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 110.431 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -99.55 20.66 13.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 109.32 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.419 ' CG1' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -72.11 -44.29 65.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.269 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.419 ' N ' ' CG1' ' A' ' 67' ' ' VAL . 43.8 ttp180 -38.25 -38.98 0.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.423 1.077 . . . . 0.0 110.295 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -42.88 -27.73 0.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 110.217 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.415 ' N ' ' C ' ' A' ' 68' ' ' ARG . 1.6 mm? -68.68 -72.27 0.19 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 91.5 p -65.05 93.65 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.966 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.9 tptt -113.06 -71.58 0.75 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.456 1.097 . . . . 0.0 109.227 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.3 m -82.37 -22.2 35.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.362 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -62.62 -38.75 91.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.907 HD11 ' CZ ' ' A' ' 30' ' ' TYR . 1.0 OUTLIER -39.38 139.94 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.986 HG12 HG13 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -100.37 -44.75 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.377 179.915 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.63 ' CA ' HG21 ' A' ' 4' ' ' VAL . . . 155.44 -110.1 0.43 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.512 1.133 . . . . 0.0 110.936 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -170.04 119.68 0.61 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.446 0.733 . . . . 0.0 110.308 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.891 HD11 ' HB3' ' A' ' 84' ' ' ARG . 0.0 OUTLIER -52.42 160.73 0.78 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.253 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.821 ' HB2' HG22 ' A' ' 8' ' ' THR . 2.2 t-80 -34.02 138.53 0.3 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.623 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.553 ' HA ' ' CG ' ' A' ' 84' ' ' ARG . 18.4 Cg_endo -75.0 -22.1 15.16 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.547 1.814 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.407 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 0.4 OUTLIER -80.39 -23.68 40.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.595 ' HB3' HD21 ' A' ' 79' ' ' LEU . 0.3 OUTLIER -83.85 -45.19 13.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.891 ' HB3' HD11 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -59.55 -35.62 74.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.331 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.48 ' N ' ' CD ' ' A' ' 84' ' ' ARG . 0.4 OUTLIER -76.91 -15.01 59.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.566 1.166 . . . . 0.0 110.013 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.73 -14.89 27.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.169 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.472 HG22 ' O ' ' A' ' 87' ' ' ILE . 12.8 mm -74.44 -0.68 2.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.259 -179.932 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 95' ' ' HEM . . . . . 0.57 ' C2A' ' HG2' ' A' ' 40' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.609 HG21 ' CA ' ' A' ' 77' ' ' GLY . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.564 ' HB3' ' CE2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -86.42 138.86 31.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.427 ' CG ' ' HD3' ' A' ' 81' ' ' PRO . 10.2 m-85 -93.8 96.17 9.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 111.027 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.564 ' CE2' ' HB3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -105.85 129.71 53.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 111.037 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.736 HG22 ' HB2' ' A' ' 80' ' ' HIS . 44.6 p -80.05 157.33 26.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.356 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.739 HD21 ' CG1' ' A' ' 87' ' ' ILE . 3.0 mp -37.16 -33.21 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 8' ' ' THR . 1.7 tt0 -44.55 -25.08 0.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.297 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.414 ' N ' ' C ' ' A' ' 9' ' ' LEU . 24.8 mm-40 -96.87 -56.19 2.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.321 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.5 HD11 ' CB ' ' A' ' 79' ' ' LEU . 4.5 mt -50.46 -39.6 17.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 0.0 109.229 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.433 ' OE1' ' O ' ' A' ' 51' ' ' GLY . 28.1 mm100 -60.09 -40.96 91.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 110.355 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.67 -3.31 30.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.673 ' CE1' ' CH2' ' A' ' 22' ' ' TRP . 39.0 m80 -109.91 46.28 1.03 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.597 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -110.07 49.44 0.84 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 18' ' ' SER . 5.2 m-20 -144.95 147.78 33.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 17' ' ' ASP . 22.4 p -37.9 -48.5 1.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.0 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.4 -60.92 2.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.418 ' O ' ' O ' ' A' ' 15' ' ' HIS . 0.3 OUTLIER -126.49 103.11 7.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.032 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.689 HG23 ' CB ' ' A' ' 50' ' ' ALA . 22.3 m -127.84 118.97 24.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 110.368 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.707 ' O ' HG13 ' A' ' 23' ' ' VAL . 13.7 m0 -118.72 -179.14 3.71 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.707 HG13 ' O ' ' A' ' 22' ' ' TRP . 3.9 m -160.11 103.87 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.551 ' CG2' ' O ' ' A' ' 52' ' ' GLY . 0.9 OUTLIER -64.55 105.96 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.609 HD12 ' O ' ' A' ' 25' ' ' LEU . 3.9 pp -128.02 124.96 38.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 67.48 34.8 4.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.574 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.462 ' O ' ' NH2' ' A' ' 84' ' ' ARG . 7.7 m80 70.02 6.5 5.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.579 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.427 ' HG3' ' NH2' ' A' ' 84' ' ' ARG . 13.3 mttt -121.6 129.01 52.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.903 HG13 HG12 ' A' ' 76' ' ' ILE . 8.9 p -94.92 129.44 45.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.679 ' CD2' HG22 ' A' ' 75' ' ' ILE . 7.1 m-85 -117.63 127.31 53.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.61 ' HB2' HG22 ' A' ' 76' ' ' ILE . 11.4 t70 -80.02 93.19 5.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.608 HD13 HBB2 ' A' ' 95' ' ' HEM . 1.0 OUTLIER -91.9 22.26 4.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.257 -179.922 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.572 ' HA ' HD12 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -78.25 -21.65 49.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.135 . . . . 0.0 110.46 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -90.16 -54.51 3.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.662 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -81.72 9.92 7.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.976 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.944 ' HG ' HD12 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -55.35 -46.61 76.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.402 1.064 . . . . 0.0 109.246 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.93 -24.1 60.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.55 -0.94 52.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.363 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.783 ' HD1' HD21 ' A' ' 46' ' ' LEU . 16.5 t-80 -95.05 128.2 39.9 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.554 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.612 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.3 Cg_endo -75.06 -4.6 15.62 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.518 1.799 . . . . 0.0 110.973 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.565 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -67.5 -81.32 0.18 Allowed Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.429 1.081 . . . . 0.0 110.974 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.493 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.14 -163.76 28.05 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.507 ' HA ' ' CD2' ' A' ' 36' ' ' LEU . 12.1 tt0 -121.19 -14.98 8.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 0.777 . . . . 0.0 110.3 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.505 ' HA ' ' CG ' ' A' ' 47' ' ' ARG . 0.8 OUTLIER -113.2 -20.05 11.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.29 179.925 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.493 ' CG1' ' HA3' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -70.51 -46.66 69.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.273 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.944 HD12 ' HG ' ' A' ' 36' ' ' LEU . 4.6 mt -57.85 -58.98 6.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.59 1.182 . . . . 0.0 109.274 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.743 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -61.74 -28.15 69.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 110.329 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' A' ' 44' ' ' GLU . 0.7 OUTLIER -46.3 -27.8 1.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.318 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 70.1 mm-40 -123.07 22.71 9.46 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.743 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -80.98 59.12 3.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.35 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.433 ' O ' ' OE1' ' A' ' 13' ' ' GLN . . . -170.0 -36.15 0.03 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.438 1.086 . . . . 0.0 111.037 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.551 ' O ' ' CG2' ' A' ' 24' ' ' ILE . . . -108.78 -133.02 6.76 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.451 ' O ' ' CG ' ' A' ' 56' ' ' GLU . 39.3 p-10 -109.88 117.68 34.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.415 0.715 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.455 ' HB3' ' HB ' ' A' ' 23' ' ' VAL . . . -90.28 -20.71 22.63 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -49.47 -27.36 4.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 110.408 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.451 ' CG ' ' O ' ' A' ' 53' ' ' ASP . 0.1 OUTLIER -73.18 -43.22 61.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.11 . . . . 0.0 110.355 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.475 ' HB3' ' CBC' ' A' ' 95' ' ' HEM . 5.5 m120 -83.32 -31.79 26.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.421 1.076 . . . . 0.0 109.265 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.554 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 0.7 OUTLIER -68.18 -39.57 82.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 111.073 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.401 ' CD ' ' C ' ' A' ' 59' ' ' GLU . 2.1 pp20? -78.65 -20.62 49.85 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.55 1.156 . . . . 0.0 110.292 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -62.9 -57.22 11.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.464 ' H ' HG12 ' A' ' 61' ' ' VAL . 0.5 OUTLIER -59.91 -18.73 16.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.76 77.7 0.32 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.45 1.094 . . . . 0.0 111.014 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.462 ' ND1' ' O ' ' A' ' 58' ' ' PHE . 50.5 m80 -73.31 140.14 46.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 0.741 . . . . 0.0 109.575 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 78.3 p -44.29 161.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.012 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.8 t -78.85 -10.95 59.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.443 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -99.94 9.96 42.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 70' ' ' LEU . 0.6 OUTLIER -81.29 -41.85 19.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 45.3 ttt180 -50.78 -33.76 24.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.358 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -93.38 18.85 9.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.261 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 67' ' ' VAL . 0.2 OUTLIER -96.66 -55.93 2.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.231 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.83 92.95 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.027 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.41 ' O ' ' CG1' ' A' ' 75' ' ' ILE . 0.0 OUTLIER -124.41 -38.54 2.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.0 m -94.54 -25.5 16.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 110.337 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -100.03 39.93 1.29 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.8 ' O ' HD12 ' A' ' 75' ' ' ILE . 2.0 pp -117.39 141.18 37.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.903 HG12 HG13 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -102.31 -42.39 8.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.609 ' CA ' HG21 ' A' ' 4' ' ' VAL . . . 149.35 -116.4 0.79 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.503 1.127 . . . . 0.0 110.986 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.442 ' CB ' ' NH2' ' A' ' 84' ' ' ARG . 4.9 pt-20 -157.96 119.96 3.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.477 0.751 . . . . 0.0 110.334 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.816 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -46.42 162.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.736 ' HB2' HG22 ' A' ' 8' ' ' THR . 2.7 t-80 -36.18 144.97 0.24 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.561 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.52 ' HD2' ' CG ' ' A' ' 80' ' ' HIS . 18.6 Cg_endo -74.98 -21.85 15.46 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.497 1.788 . . . . 0.0 110.964 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -77.81 -54.02 6.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.69 -9.42 36.1 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.588 ' HG3' HD11 ' A' ' 79' ' ' LEU . 7.1 ttt180 -59.67 -32.29 70.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.605 1.191 . . . . 0.0 110.336 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.401 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 23.2 t -95.73 -4.86 43.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.995 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -75.35 -41.27 56.98 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.506 1.129 . . . . 0.0 109.254 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.739 ' CG1' HD21 ' A' ' 9' ' ' LEU . 6.2 mt -65.36 -13.24 14.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.532 1.145 . . . . 0.0 109.262 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 85' ' ' SER . . . . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' HEM . . . . . 0.608 HBB2 HD13 ' A' ' 32' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.656 HG21 ' CA ' ' A' ' 77' ' ' GLY . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.516 ' HB3' ' CE2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -84.9 136.76 33.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.262 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -92.61 92.3 7.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 0.0 110.97 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.522 ' O ' ' HB2' ' A' ' 79' ' ' LEU . 0.1 OUTLIER -102.21 129.62 48.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 111.032 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.755 HG22 ' CB ' ' A' ' 80' ' ' HIS . 52.2 p -81.09 164.35 22.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 110.348 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.75 HD21 HD11 ' A' ' 87' ' ' ILE . 4.2 mp -41.02 -37.13 0.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -47.78 -22.45 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 110.296 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.411 ' N ' ' C ' ' A' ' 9' ' ' LEU . 4.3 mm-40 -95.04 -54.93 3.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.14 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.403 HD12 ' H ' ' A' ' 12' ' ' ILE . 3.5 mp -58.93 -32.15 46.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -55.05 -41.43 71.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 110.272 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.32 -5.98 45.35 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.655 ' CE1' ' CH2' ' A' ' 22' ' ' TRP . 46.7 m80 -109.24 44.24 1.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.594 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.4 tttp -110.22 59.01 0.61 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 18' ' ' SER . 0.5 OUTLIER -157.63 150.26 22.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 109.263 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 17' ' ' ASP . 17.8 p -37.99 -53.9 1.33 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.977 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.34 -55.32 4.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 15' ' ' HIS . 0.2 OUTLIER -133.74 107.45 7.92 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 109.977 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.847 HG21 ' HB3' ' A' ' 47' ' ' ARG . 4.7 m -138.01 120.03 15.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.357 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.679 ' O ' HG13 ' A' ' 23' ' ' VAL . 1.7 m0 -123.5 -173.4 2.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 107.984 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 1.062 HG22 HD21 ' A' ' 32' ' ' LEU . 14.1 m -159.78 110.73 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 109.256 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.763 HG22 ' HB ' ' A' ' 29' ' ' VAL . 1.2 pp -67.82 91.7 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.636 HD11 ' CE1' ' A' ' 30' ' ' TYR . 4.3 pp -111.6 137.39 49.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 50.12 47.51 23.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.666 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.442 ' CG ' ' HG3' ' A' ' 84' ' ' ARG . 5.3 m-70 56.1 20.3 4.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.598 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 25' ' ' LEU . 25.2 mtpt -137.67 116.22 12.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.971 HG13 HG12 ' A' ' 76' ' ' ILE . 4.4 p -85.83 137.28 21.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.866 ' CE2' HD11 ' A' ' 75' ' ' ILE . 4.2 m-85 -118.06 134.09 55.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.621 ' HB2' HG22 ' A' ' 76' ' ' ILE . 25.2 t0 -88.06 83.74 6.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 1.062 HD21 HG22 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -93.1 27.0 2.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.433 ' HA ' HD12 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -75.88 -24.12 55.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.389 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.432 ' HD2' HG22 ' A' ' 33' ' ' THR . 0.0 OUTLIER -90.04 -44.19 10.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 109.333 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.626 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -89.72 7.8 34.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.952 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.469 HD12 ' O ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -55.23 -43.1 74.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.02 -22.56 49.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.269 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -82.41 -2.46 53.16 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.466 1.104 . . . . 0.0 110.303 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.603 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 28.0 t-80 -94.19 131.72 30.84 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.595 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.603 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.5 Cg_endo -75.05 -8.55 20.12 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.443 1.759 . . . . 0.0 110.999 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.553 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -63.26 -79.24 0.16 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.497 1.123 . . . . 0.0 111.027 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.465 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.22 -165.54 30.93 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.431 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 12.9 tt0 -120.69 -14.79 8.53 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.495 0.762 . . . . 0.0 110.348 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.523 ' HA ' ' CG ' ' A' ' 47' ' ' ARG . 0.7 OUTLIER -114.45 -27.12 7.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.464 1.103 . . . . 0.0 110.309 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.484 ' HA ' ' HB2' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -71.72 -34.65 52.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 0.0 109.29 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.536 HD21 ' HD1' ' A' ' 39' ' ' HIS . 3.5 mt -68.91 -44.65 72.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.258 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.847 ' HB3' HG21 ' A' ' 21' ' ' THR . 3.3 ptm180 -81.19 -23.68 37.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.318 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.484 ' HB2' ' HA ' ' A' ' 45' ' ' VAL . 0.6 OUTLIER -43.56 -25.38 0.16 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.495 1.122 . . . . 0.0 110.345 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.54 ' O ' HG12 ' A' ' 23' ' ' VAL . 15.0 mm100 -125.03 43.41 3.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 110.356 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.77 ' HB2' HG23 ' A' ' 21' ' ' THR . . . -93.34 53.26 1.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.2 -35.54 0.03 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.401 1.063 . . . . 0.0 111.051 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.442 ' O ' HG13 ' A' ' 24' ' ' ILE . . . -104.74 -140.89 10.61 Favored Glycine 0 CA--C 1.531 1.056 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.79 115.17 29.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 0.79 . . . . 0.0 109.264 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.505 ' O ' ' N ' ' A' ' 58' ' ' PHE . . . -90.73 -17.68 26.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.462 ' O ' ' CG ' ' A' ' 59' ' ' GLU . 0.3 OUTLIER -49.47 -25.98 3.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 110.428 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.45 -41.81 54.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 110.316 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -85.96 -28.21 24.4 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.569 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -72.97 -39.56 66.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 110.957 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.462 ' CG ' ' O ' ' A' ' 55' ' ' THR . 2.2 pp20? -76.68 -20.36 56.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 110.251 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -58.26 -55.43 35.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.433 ' H ' HG12 ' A' ' 61' ' ' VAL . 1.2 p -63.31 -19.01 22.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.396 1.06 . . . . 0.0 109.336 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 70.55 76.83 0.51 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.446 1.091 . . . . 0.0 110.985 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.559 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 51.8 m80 -71.38 137.82 48.68 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.501 0.765 . . . . 0.0 109.598 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.7 m -48.32 155.47 0.5 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.598 1.186 . . . . 0.0 109.999 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.9 p -74.83 -23.71 58.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.424 1.077 . . . . 0.0 110.355 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -97.97 17.33 18.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 70' ' ' LEU . 1.1 p -70.27 -41.23 78.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.267 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.26 -35.14 0.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.28 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -52.12 -35.34 47.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 67' ' ' VAL . 2.9 mm? -62.0 -62.71 1.59 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.545 1.153 . . . . 0.0 109.36 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.15 57.33 0.65 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 110.011 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.42 -41.77 21.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.8 m -110.2 -8.58 14.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 110.396 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.595 ' CE2' ' HB2' ' A' ' 35' ' ' PHE . 17.6 m-85 -88.75 29.14 1.04 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.866 HD11 ' CE2' ' A' ' 30' ' ' TYR . 1.4 mm -103.36 150.44 6.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 0.0 109.288 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.971 HG12 HG13 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -115.59 -45.38 4.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.219 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.656 ' CA ' HG21 ' A' ' 4' ' ' VAL . . . 154.53 -112.63 0.53 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.43 1.081 . . . . 0.0 111.037 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -167.08 119.66 0.95 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.405 0.709 . . . . 0.0 110.31 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.933 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -54.0 155.67 3.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.755 ' CB ' HG22 ' A' ' 8' ' ' THR . 3.6 t-80 -33.14 142.67 0.18 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.62 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.465 ' HD2' ' CG ' ' A' ' 80' ' ' HIS . 18.3 Cg_endo -75.11 -36.14 2.66 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.492 1.786 . . . . 0.0 110.961 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.99 -44.58 95.63 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.538 1.149 . . . . 0.0 109.277 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.78 -36.08 77.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.343 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.817 ' HB2' HD11 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -64.41 -38.92 92.74 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.57 1.169 . . . . 0.0 110.269 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.14 -14.25 58.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.98 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -80.05 -25.29 40.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 109.362 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.75 HD11 HD21 ' A' ' 9' ' ' LEU . 20.0 mt -80.8 3.18 2.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.974 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 95' ' ' HEM . . . . . 0.712 ' CBB' HD22 ' A' ' 32' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.436 HG11 ' HG2' ' A' ' 78' ' ' GLU . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.591 ' O ' ' CE2' ' A' ' 7' ' ' TYR . 0.1 OUTLIER -90.76 131.84 36.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -88.42 94.7 9.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 111.006 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.591 ' CE2' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -103.2 129.74 50.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 111.035 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.704 HG22 ' HB2' ' A' ' 80' ' ' HIS . 59.8 p -78.45 161.25 27.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.417 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.685 HD21 HD11 ' A' ' 87' ' ' ILE . 3.8 mp -40.26 -29.8 0.09 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.562 1.164 . . . . 0.0 109.256 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.449 ' N ' ' C ' ' A' ' 8' ' ' THR . 2.2 tt0 -51.98 -19.36 1.79 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.314 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.572 ' HG3' ' CE1' ' A' ' 15' ' ' HIS . 0.6 OUTLIER -99.95 -54.82 2.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 110.373 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.4 mp -59.77 -28.51 40.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.411 ' OE1' ' CA ' ' A' ' 51' ' ' GLY . 22.1 mm100 -62.18 -43.05 99.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.55 -7.52 52.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.609 ' CE1' ' CH2' ' A' ' 22' ' ' TRP . 37.8 m80 -105.21 46.04 0.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.589 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.3 tttp -110.14 58.06 0.61 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 20' ' ' SER . 12.1 m-20 -148.78 155.3 40.76 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 75.1 p -46.5 -44.68 17.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.042 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.1 ptmt -57.99 -41.35 82.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.344 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 17' ' ' ASP . 0.9 OUTLIER -140.03 112.29 7.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.972 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.847 HG21 ' HB3' ' A' ' 47' ' ' ARG . 3.4 m -145.36 113.45 6.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.359 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.609 ' CH2' ' CE1' ' A' ' 15' ' ' HIS . 3.6 m0 -117.1 -179.03 3.58 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.911 HG22 HD21 ' A' ' 32' ' ' LEU . 10.6 m -157.02 106.64 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.557 1.161 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.594 HD13 ' C ' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -67.08 105.26 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.464 HD12 ' O ' ' A' ' 25' ' ' LEU . 3.8 pp -125.95 128.15 47.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.349 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 43.8 t60 59.33 35.54 23.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.616 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.522 ' CG ' ' HG3' ' A' ' 84' ' ' ARG . 2.1 m-70 69.96 4.93 5.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 109.607 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -121.04 110.13 15.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 1.002 HG13 HG12 ' A' ' 76' ' ' ILE . 4.3 p -86.4 137.76 20.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.257 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.961 ' CE2' HD11 ' A' ' 75' ' ' ILE . 3.4 m-85 -118.76 137.18 53.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.954 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.553 ' CB ' HG22 ' A' ' 76' ' ' ILE . 27.8 t0 -93.86 80.15 4.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.911 HD21 HG22 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -84.23 16.43 3.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.458 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 0.5 OUTLIER -63.85 -20.8 66.09 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 110.406 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.28 -53.01 4.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.582 1.176 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.678 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -85.13 12.73 7.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.978 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.468 ' HB2' ' O ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -59.04 -32.06 69.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -88.39 -18.19 28.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.429 1.081 . . . . 0.0 110.217 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.37 -4.26 59.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.304 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.62 ' HB2' ' CZ ' ' A' ' 35' ' ' PHE . 31.1 t-80 -88.79 131.46 41.46 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.591 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.61 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.3 Cg_endo -74.99 0.14 9.26 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.415 1.745 . . . . 0.0 110.967 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.583 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -74.0 -79.56 0.52 Allowed Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.564 1.165 . . . . 0.0 110.961 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.51 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.07 -163.59 27.73 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.425 ' HA ' HD23 ' A' ' 36' ' ' LEU . 18.5 tt0 -123.63 -16.88 6.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.421 0.718 . . . . 0.0 110.275 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.431 ' O ' ' OE2' ' A' ' 48' ' ' GLU . 0.2 OUTLIER -115.53 -12.16 11.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.289 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.51 ' CG1' ' HA3' ' A' ' 42' ' ' GLY . 0.2 OUTLIER -89.76 -23.49 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.531 HD21 ' HD1' ' A' ' 39' ' ' HIS . 5.6 mt -79.57 -36.74 37.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.847 ' HB3' HG21 ' A' ' 21' ' ' THR . 1.6 ptt180 -87.59 -21.97 25.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 110.285 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.431 ' OE2' ' O ' ' A' ' 44' ' ' GLU . 1.0 OUTLIER -48.25 -26.1 1.82 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 110.288 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -117.9 24.08 11.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 110.321 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.808 ' CB ' HG23 ' A' ' 21' ' ' THR . . . -86.63 62.23 7.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.575 1.172 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.411 ' CA ' ' OE1' ' A' ' 13' ' ' GLN . . . -170.07 -36.89 0.03 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.55 1.156 . . . . 0.0 111.014 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.545 ' O ' HG22 ' A' ' 24' ' ' ILE . . . -115.31 -125.61 3.97 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -109.78 121.57 45.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 0.77 . . . . 0.0 109.268 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.472 ' CB ' ' HB ' ' A' ' 23' ' ' VAL . . . -92.3 -21.83 20.07 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.583 ' HA ' ' HB3' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -49.38 -44.74 45.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.567 1.167 . . . . 0.0 110.389 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.89 -34.5 9.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.453 1.096 . . . . 0.0 110.298 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.534 ' O ' HG12 ' A' ' 61' ' ' VAL . 4.6 m-80 -100.28 -44.02 6.08 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.562 1.164 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.583 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 0.7 OUTLIER -58.52 -39.99 81.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.525 ' HB2' ' O ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -81.58 -16.66 50.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 110.35 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.453 ' HB3' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -70.83 -53.81 13.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 0.0 109.261 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.534 HG12 ' O ' ' A' ' 57' ' ' ASN . 0.8 OUTLIER -59.8 -19.37 17.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 69.24 78.22 0.36 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.488 1.117 . . . . 0.0 110.926 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.489 ' ND1' ' O ' ' A' ' 58' ' ' PHE . 49.8 m80 -73.92 140.01 45.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 0.785 . . . . 0.0 109.592 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.35 151.89 0.48 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 110.036 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 53.0 p -73.22 -26.35 61.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 110.401 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -95.51 15.7 19.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.467 HG11 ' HB3' ' A' ' 63' ' ' HIS . 1.8 p -74.65 -12.43 15.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.612 1.195 . . . . 0.0 109.328 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.08 -12.4 50.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.429 1.081 . . . . 0.0 110.354 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -87.72 -11.1 49.24 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.601 1.188 . . . . 0.0 110.296 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -78.4 -67.2 0.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.348 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.3 t -87.18 91.58 8.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 110.001 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.18 -52.16 2.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.444 HG22 ' CD1' ' A' ' 74' ' ' TYR . 0.6 OUTLIER -81.22 -27.59 35.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 110.42 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.444 ' CD1' HG22 ' A' ' 73' ' ' THR . 8.5 m-85 -76.3 2.36 13.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.937 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.961 HD11 ' CE2' ' A' ' 30' ' ' TYR . 1.3 mm -69.84 148.18 11.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.485 1.115 . . . . 0.0 109.25 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 1.002 HG12 HG13 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -113.57 -42.44 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 109.289 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 149.22 -119.49 1.06 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.42 1.075 . . . . 0.0 111.033 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.436 ' HG2' HG11 ' A' ' 4' ' ' VAL . 7.0 pt-20 -160.74 119.76 2.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 0.758 . . . . 0.0 110.346 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.865 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -52.65 161.07 0.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.704 ' HB2' HG22 ' A' ' 8' ' ' THR . 3.0 t-80 -36.49 139.1 0.46 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.586 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -21.01 16.45 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.507 1.793 . . . . 0.0 111.038 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.498 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 0.3 OUTLIER -79.08 -40.81 30.22 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.01 -32.5 67.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.758 ' HB2' HD11 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -62.56 -34.28 76.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.259 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.42 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 30.4 t -89.45 -15.48 33.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 110.009 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 8.4 mmtt -68.31 -35.45 77.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.15 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.685 HD11 HD21 ' A' ' 9' ' ' LEU . 24.1 mt -71.62 -9.1 12.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 85' ' ' SER . . . . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' HEM . . . . . 0.766 ' CBB' HD22 ' A' ' 32' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.607 HG21 ' CA ' ' A' ' 77' ' ' GLY . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.549 ' HB3' ' CE2' ' A' ' 7' ' ' TYR . 0.3 OUTLIER -84.21 136.53 33.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -93.6 94.87 8.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 111.035 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.549 ' CE2' ' HB3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -105.13 129.79 53.45 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.549 1.156 . . . . 0.0 110.991 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.525 HG22 ' HB2' ' A' ' 80' ' ' HIS . 42.8 p -76.62 160.0 29.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.409 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.563 ' O ' ' CG ' ' A' ' 13' ' ' GLN . 1.3 mp -35.61 -41.77 0.21 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 9' ' ' LEU . 49.9 tt0 -38.24 -28.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.48 1.113 . . . . 0.0 110.282 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.548 ' OE2' ' CG ' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -95.45 -53.15 3.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.321 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.646 HD11 ' HB3' ' A' ' 79' ' ' LEU . 34.3 mt -53.38 -34.98 23.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.563 ' CG ' ' O ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -81.96 -23.33 36.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.333 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.19 -14.68 60.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.406 1.066 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.475 ' ND1' ' CZ2' ' A' ' 22' ' ' TRP . 7.3 m170 -116.35 54.56 0.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.561 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.5 ' HG3' ' HB3' ' A' ' 50' ' ' ALA . 0.8 OUTLIER -109.11 66.88 0.64 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.122 . . . . 0.0 109.254 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 20' ' ' SER . 16.2 m-20 -150.47 157.94 43.59 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.557 1.161 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.8 t -48.43 -44.72 35.44 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.438 1.086 . . . . 0.0 110.029 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.436 ' O ' HG21 ' A' ' 33' ' ' THR . 0.0 OUTLIER -59.78 -41.56 91.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 17' ' ' ASP . 0.2 OUTLIER -140.04 115.4 9.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.988 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.84 HG21 ' HB3' ' A' ' 47' ' ' ARG . 2.2 m -150.26 126.58 10.72 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.479 1.112 . . . . 0.0 110.376 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.702 ' O ' HG13 ' A' ' 23' ' ' VAL . 1.6 m0 -124.81 -174.34 3.01 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.702 HG13 ' O ' ' A' ' 22' ' ' TRP . 3.2 m -160.05 111.69 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.607 ' CD1' HD12 ' A' ' 79' ' ' LEU . 1.1 tt -69.25 100.01 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.347 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.47 ' HG ' ' CD1' ' A' ' 30' ' ' TYR . 3.8 pp -118.94 124.77 47.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.152 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 77.0 m80 65.78 37.1 5.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.577 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 19.7 m170 66.55 12.43 8.74 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.388 1.055 . . . . 0.0 109.634 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.404 ' O ' ' CE1' ' A' ' 30' ' ' TYR . 32.0 mtpt -126.83 121.98 33.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 109.255 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.911 HG13 HG12 ' A' ' 76' ' ' ILE . 10.5 p -90.24 133.24 32.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.726 ' CD2' HG22 ' A' ' 75' ' ' ILE . 29.0 m-85 -121.46 133.54 55.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 110.988 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.559 ' CB ' HG22 ' A' ' 76' ' ' ILE . 14.3 t0 -91.44 92.14 8.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.508 HD23 ' O ' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -100.8 20.15 15.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.44 ' HB ' ' OD1' ' A' ' 31' ' ' ASP . 0.4 OUTLIER -66.58 -21.75 66.14 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.376 1.048 . . . . 0.0 110.375 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.6 tppt? -82.81 -50.88 8.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.22 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.555 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -87.91 7.21 31.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.973 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -55.34 -37.69 67.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.358 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.18 -21.85 39.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.293 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -85.81 -7.58 58.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.24 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.593 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 34.7 t-80 -83.66 133.18 47.09 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.546 1.154 . . . . 0.0 109.576 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.593 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.3 Cg_endo -75.09 -15.44 20.55 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.494 1.786 . . . . 0.0 110.999 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.583 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -56.22 -80.63 0.08 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.581 1.176 . . . . 0.0 110.984 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.489 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.05 -164.49 29.18 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.419 ' O ' ' CG ' ' A' ' 43' ' ' GLU . 7.3 tt0 -123.27 -12.81 7.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 0.753 . . . . 0.0 110.252 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -119.48 -1.55 10.68 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.517 1.136 . . . . 0.0 110.342 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.489 ' CG1' ' HA3' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -100.18 -26.96 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.498 HD21 ' HD1' ' A' ' 39' ' ' HIS . 1.9 mt -79.56 -33.84 41.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.421 1.076 . . . . 0.0 109.343 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.84 ' HB3' HG21 ' A' ' 21' ' ' THR . 5.2 ptm180 -91.38 -17.58 25.61 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 110.313 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -56.88 -16.47 6.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.349 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.614 ' O ' HG12 ' A' ' 23' ' ' VAL . 18.3 mm100 -121.17 30.23 6.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.241 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.822 ' HB2' HG23 ' A' ' 21' ' ' THR . . . -87.0 52.85 2.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.16 -35.46 0.03 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.584 1.178 . . . . 0.0 111.033 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.524 ' O ' ' CG2' ' A' ' 24' ' ' ILE . . . -109.93 -138.85 8.15 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -109.71 120.53 42.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.432 0.724 . . . . 0.0 109.341 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.422 ' HB1' ' CMC' ' A' ' 95' ' ' HEM . . . -87.7 -18.3 29.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.573 ' HA ' ' HB3' ' A' ' 58' ' ' PHE . 0.5 OUTLIER -49.47 -50.57 40.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 110.408 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -44.02 -32.97 1.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.289 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.5 ' CB ' ' CBC' ' A' ' 95' ' ' HEM . 18.6 m-20 -99.1 -50.39 4.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.573 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 1.3 t80 -51.52 -39.87 58.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 111.031 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.456 ' HB2' ' O ' ' A' ' 55' ' ' THR . 0.2 OUTLIER -78.66 -23.66 45.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.339 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.482 ' HB3' ' O ' ' A' ' 57' ' ' ASN . 23.6 t0 -64.3 -56.48 14.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.483 HG12 ' O ' ' A' ' 57' ' ' ASN . 0.3 OUTLIER -59.9 -17.44 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 66.1 79.46 0.2 Allowed Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.528 1.142 . . . . 0.0 111.0 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.472 ' ND1' ' O ' ' A' ' 58' ' ' PHE . 56.6 m80 -75.86 138.93 41.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.421 0.718 . . . . 0.0 109.562 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.404 ' O ' ' HB ' ' A' ' 67' ' ' VAL . 2.6 m -53.64 161.01 1.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.999 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.3 m -78.65 -9.29 59.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.384 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.41 ' O ' ' CD ' ' A' ' 69' ' ' GLU . 45.5 m-20 -100.1 7.53 44.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.34 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.458 HG22 ' HHB' ' A' ' 95' ' ' HEM . 0.5 OUTLIER -74.68 -30.32 24.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.414 1.071 . . . . 0.0 109.3 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.1 ptt85 -62.08 -30.84 71.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 110.298 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.41 ' CD ' ' O ' ' A' ' 66' ' ' ASP . 5.2 pt-20 -62.49 -17.44 59.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.307 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.505 HD23 ' HA ' ' A' ' 70' ' ' LEU . 7.2 mt -89.94 -40.75 12.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.662 ' O ' HG23 ' A' ' 75' ' ' ILE . 1.0 OUTLIER -67.35 -29.5 69.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.015 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 71' ' ' SER . 1.8 mmtt -39.41 -39.69 0.71 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.6 m -87.34 -34.92 18.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 110.41 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.461 ' N ' ' O ' ' A' ' 71' ' ' SER . 5.0 m-85 -100.03 57.69 0.98 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.084 . . . . 0.0 110.989 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.726 HG22 ' CD2' ' A' ' 30' ' ' TYR . 2.2 pp -123.92 162.16 25.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.911 HG12 HG13 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -125.47 -44.45 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.607 ' CA ' HG21 ' A' ' 4' ' ' VAL . . . 153.02 -114.16 0.61 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.465 1.103 . . . . 0.0 111.017 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -165.44 119.79 1.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 0.727 . . . . 0.0 110.338 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.864 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -47.93 162.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.582 1.176 . . . . 0.0 109.314 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.573 ' N ' HD22 ' A' ' 79' ' ' LEU . 4.0 t-80 -40.58 143.42 0.68 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.105 . . . . 0.0 109.625 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.491 ' HD2' ' CG ' ' A' ' 80' ' ' HIS . 18.2 Cg_endo -75.01 -28.27 9.29 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.451 1.763 . . . . 0.0 111.018 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -71.67 -42.88 66.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.243 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.86 -30.99 66.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.314 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.702 ' HB2' HD11 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -60.17 -34.09 73.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.271 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 29.1 t -83.17 -8.95 59.42 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 109.931 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -89.35 -24.16 22.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.272 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.7 mt -61.97 -13.52 9.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.338 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 -179.972 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 95' ' ' HEM . . . . . 0.551 HMC3 ' HB2' ' A' ' 58' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.744 HG21 ' CA ' ' A' ' 77' ' ' GLY . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.501 ' O ' ' CE2' ' A' ' 7' ' ' TYR . 22.3 tttt -87.7 139.28 30.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -93.13 90.93 7.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 111.04 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.501 ' CE2' ' O ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -98.57 129.7 45.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 111.036 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.53 HG22 ' HB2' ' A' ' 80' ' ' HIS . 14.9 p -78.34 155.47 30.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.409 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.695 ' CD2' HD11 ' A' ' 87' ' ' ILE . 3.2 mp -39.69 -31.92 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.428 ' N ' ' C ' ' A' ' 8' ' ' THR . 1.4 tt0 -48.62 -26.09 2.08 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.525 1.141 . . . . 0.0 110.282 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.408 ' OE1' ' HB3' ' A' ' 10' ' ' GLU . 2.7 mm-40 -97.25 -55.74 2.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.584 1.178 . . . . 0.0 110.213 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.424 HG23 ' HB2' ' A' ' 22' ' ' TRP . 3.0 mp -49.17 -38.52 11.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.408 ' OE1' ' HA ' ' A' ' 13' ' ' GLN . 37.0 mm-40 -54.46 -26.44 31.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.607 1.192 . . . . 0.0 110.332 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.13 -8.52 56.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.265 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.811 ' CE1' ' CZ2' ' A' ' 22' ' ' TRP . 36.4 m-70 -108.97 51.16 0.75 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.514 1.134 . . . . 0.0 109.598 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.5 ttpt -110.14 52.43 0.73 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -160.14 163.33 33.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.7 p -50.64 -49.83 55.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 110.006 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.86 -46.65 21.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.91 114.17 9.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.987 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.823 HG23 ' HB2' ' A' ' 50' ' ' ALA . 1.3 m -136.35 115.92 12.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.339 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.811 ' CZ2' ' CE1' ' A' ' 15' ' ' HIS . 41.2 m0 -114.56 175.42 5.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.467 1.104 . . . . 0.0 108.034 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 23' ' ' VAL . 26.6 m -157.7 99.29 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.595 ' CD1' HD12 ' A' ' 79' ' ' LEU . 4.0 tp -69.19 100.09 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.502 HD23 HG23 ' A' ' 23' ' ' VAL . 4.3 pp -118.97 136.0 54.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.549 ' O ' ' CG ' ' A' ' 27' ' ' HIS . 24.1 m-70 46.04 51.65 10.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 109.585 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.549 ' CG ' ' O ' ' A' ' 26' ' ' HIS . 21.2 p-80 53.24 28.29 7.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.624 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.44 ' HG2' ' O ' ' A' ' 26' ' ' HIS . 10.2 mmmm -140.72 109.56 6.04 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.566 1.166 . . . . 0.0 109.286 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.98 HG13 HG12 ' A' ' 76' ' ' ILE . 11.1 p -88.76 138.75 18.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 1.016 ' CE2' HD11 ' A' ' 75' ' ' ILE . 5.8 m-85 -123.96 145.45 49.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.534 1.146 . . . . 0.0 111.013 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.659 ' CB ' HG22 ' A' ' 76' ' ' ILE . 8.2 t70 -97.61 99.6 10.99 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.732 HD22 ' N ' ' A' ' 32' ' ' LEU . 0.5 OUTLIER -94.56 -3.4 49.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.423 ' HA ' HD12 ' A' ' 36' ' ' LEU . 0.4 OUTLIER -52.72 -18.43 1.82 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.597 1.186 . . . . 0.0 110.334 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -90.19 -57.02 2.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.335 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.735 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -89.41 21.16 3.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.586 1.178 . . . . 0.0 110.977 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.563 ' N ' ' O ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -60.84 -41.02 95.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.01 -18.17 40.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.338 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -86.74 -5.3 59.16 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.538 1.149 . . . . 0.0 110.241 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.6 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 25.1 t-80 -86.06 130.22 51.03 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.634 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.6 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.3 Cg_endo -75.07 -3.55 14.09 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.476 1.777 . . . . 0.0 111.007 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.599 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -67.76 -80.42 0.21 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.535 1.147 . . . . 0.0 110.965 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.455 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.08 -166.92 32.92 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.434 ' O ' ' CG ' ' A' ' 43' ' ' GLU . 7.0 tt0 -122.74 -10.88 8.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 0.749 . . . . 0.0 110.315 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.433 ' O ' ' HB2' ' A' ' 48' ' ' GLU . 9.8 pm0 -119.48 -1.89 10.62 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.522 1.139 . . . . 0.0 110.281 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.455 ' CG1' ' HA3' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -100.35 -28.67 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.524 HD21 ' HD1' ' A' ' 39' ' ' HIS . 1.2 mt -77.27 -32.39 55.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.403 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -88.61 -21.47 23.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.245 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.433 ' HB2' ' O ' ' A' ' 44' ' ' GLU . 0.5 OUTLIER -63.03 -12.93 29.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 0.0 110.322 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.511 ' OE1' ' CB ' ' A' ' 57' ' ' ASN . 1.2 mt-30 -135.71 41.14 2.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.352 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.823 ' HB2' HG23 ' A' ' 21' ' ' THR . . . -104.09 60.7 0.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.418 1.074 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.26 -37.39 0.03 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.538 1.149 . . . . 0.0 110.969 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -106.26 -138.38 9.09 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.45 ' HB2' HG22 ' A' ' 55' ' ' THR . 6.9 p-10 -110.0 116.59 31.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.582 0.813 . . . . 0.0 109.275 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.508 ' O ' ' N ' ' A' ' 58' ' ' PHE . . . -92.72 -12.4 31.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.45 HG22 ' HB2' ' A' ' 53' ' ' ASP . 0.6 OUTLIER -49.45 -24.88 2.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 110.39 179.904 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.6 -43.18 39.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.164 . . . . 0.0 110.374 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.511 ' CB ' ' OE1' ' A' ' 49' ' ' GLN . 1.3 m120 -84.62 -29.28 25.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.581 ' CE1' ' HB2' ' A' ' 63' ' ' HIS . 1.1 t80 -71.04 -39.71 72.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.45 ' CG ' ' O ' ' A' ' 55' ' ' THR . 1.6 pp20? -76.66 -21.2 55.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 110.242 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -59.72 -57.42 12.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 109.347 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -62.13 -16.63 16.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 66.87 80.64 0.18 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.533 1.146 . . . . 0.0 111.015 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.581 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 59.9 m80 -73.0 140.04 47.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 0.741 . . . . 0.0 109.593 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.03 139.9 58.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 110.015 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.3 t -59.75 -15.65 21.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 110.427 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.4 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 0.4 OUTLIER -85.79 8.0 21.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.427 1.08 . . . . 0.0 109.304 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.415 ' CG2' ' HHB' ' A' ' 95' ' ' HEM . 2.6 p -84.9 -23.8 7.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.351 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.6 tpp85 -53.67 -27.91 30.36 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 66' ' ' ASP . 2.5 pt-20 -86.68 -26.98 24.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.452 ' HG ' HMA1 ' A' ' 95' ' ' HEM . 1.2 mm? -55.63 -60.3 3.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.582 1.176 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.406 ' HB3' HMB1 ' A' ' 95' ' ' HEM . 6.4 p -85.32 61.82 7.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.969 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.26 -46.03 11.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.3 m -94.93 -12.72 26.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.375 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 6.5 m-30 -89.49 22.81 2.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 111.038 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 1.016 HD11 ' CE2' ' A' ' 30' ' ' TYR . 0.9 OUTLIER -94.42 148.36 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.155 . . . . 0.0 109.295 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.98 HG12 HG13 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -114.24 -41.33 3.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.744 ' CA ' HG21 ' A' ' 4' ' ' VAL . . . 150.49 -113.06 0.57 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.479 1.112 . . . . 0.0 111.076 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.485 ' HA ' HG12 ' A' ' 29' ' ' VAL . 16.9 pt-20 -170.12 119.85 0.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 0.77 . . . . 0.0 110.32 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.963 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -53.17 157.03 1.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.083 . . . . 0.0 109.286 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.531 ' N ' HD22 ' A' ' 79' ' ' LEU . 5.0 t-80 -35.92 142.35 0.3 Allowed Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 0.0 109.586 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.465 ' HD2' ' CG ' ' A' ' 80' ' ' HIS . 18.3 Cg_endo -74.98 -29.07 8.64 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.518 1.799 . . . . 0.0 110.94 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -71.73 -42.59 67.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.4 ' CG ' ' HB ' ' A' ' 8' ' ' THR . 1.5 m-20 -70.79 -32.72 69.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.343 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.826 ' HB2' HD11 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -61.35 -32.48 72.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.339 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 42.5 t -88.18 -11.45 46.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.998 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.67 -30.51 41.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.695 HD11 ' CD2' ' A' ' 9' ' ' LEU . 6.6 mm -67.96 -9.27 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.464 1.103 . . . . 0.0 109.238 179.959 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 95' ' ' HEM . . . . . 0.512 ' CBB' HD11 ' A' ' 32' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.543 HG21 ' CA ' ' A' ' 77' ' ' GLY . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.589 ' O ' ' CE2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -84.25 130.92 34.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.449 1.093 . . . . 0.0 109.315 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -89.39 94.25 9.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 111.07 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.589 ' CE2' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -99.62 129.87 45.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.973 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.549 HG22 ' HB2' ' A' ' 80' ' ' HIS . 6.9 p -80.72 157.13 25.95 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 110.398 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.874 HD21 HD11 ' A' ' 87' ' ' ILE . 2.9 mp -36.46 -34.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 8' ' ' THR . 1.7 tt0 -43.15 -25.98 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.353 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.433 ' N ' ' C ' ' A' ' 9' ' ' LEU . 12.0 mm-40 -96.85 -56.36 2.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 0.0 110.264 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.636 HD12 ' H ' ' A' ' 12' ' ' ILE . 4.8 mp -51.21 -38.28 18.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.167 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -59.35 -42.72 92.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 110.337 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.83 -6.19 47.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.662 ' CE1' ' CH2' ' A' ' 22' ' ' TRP . 35.6 m80 -106.2 45.23 0.99 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.669 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.5 ttpt -110.31 56.83 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 109.286 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.87 154.07 33.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 109.243 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.42 ' O ' ' OG1' ' A' ' 33' ' ' THR . 76.5 p -42.97 -46.41 5.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.973 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -50.09 -56.99 8.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.415 ' O ' ' O ' ' A' ' 15' ' ' HIS . 0.5 OUTLIER -130.71 110.9 11.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.001 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.871 HG23 ' HB2' ' A' ' 50' ' ' ALA . 3.2 m -143.17 118.28 10.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.339 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.662 ' CH2' ' CE1' ' A' ' 15' ' ' HIS . 1.1 m0 -124.47 -178.08 4.01 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.591 HG22 HD21 ' A' ' 32' ' ' LEU . 16.2 m -157.26 110.37 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.516 HG22 ' O ' ' A' ' 52' ' ' GLY . 4.7 tt -57.28 118.99 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.359 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.927 HD12 ' CE1' ' A' ' 30' ' ' TYR . 43.4 mt -100.16 51.79 0.9 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.475 1.11 . . . . 0.0 109.331 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.416 ' O ' ' HE3' ' A' ' 28' ' ' LYS . 0.1 OUTLIER 70.35 70.95 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.615 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.65 ' CE1' ' HA ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER 70.85 36.65 1.47 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.617 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.43 ' HE2' ' HB3' ' A' ' 28' ' ' LYS . 0.6 OUTLIER -170.34 89.07 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.92 HG13 HG12 ' A' ' 76' ' ' ILE . 3.9 p -81.22 145.86 8.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.261 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.931 ' CE2' HD11 ' A' ' 75' ' ' ILE . 5.7 m-85 -122.99 133.92 54.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 110.969 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.643 ' CB ' HG22 ' A' ' 76' ' ' ILE . 7.2 t0 -90.42 88.01 7.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.437 1.085 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.603 HD23 ' O ' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -96.65 17.07 17.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.51 ' HA ' HD12 ' A' ' 36' ' ' LEU . 0.6 OUTLIER -65.5 -18.12 65.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 110.374 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.99 -53.42 4.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.582 1.176 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.59 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -84.22 10.33 10.63 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.508 1.13 . . . . 0.0 110.962 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.51 HD12 ' HA ' ' A' ' 33' ' ' THR . 0.2 OUTLIER -55.53 -45.1 77.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.48 -23.9 53.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.603 1.19 . . . . 0.0 110.287 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -82.8 -4.91 58.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 110.309 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.584 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 33.2 t-80 -86.75 132.7 41.5 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.439 1.087 . . . . 0.0 109.58 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.584 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.5 Cg_endo -74.95 -15.18 21.02 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.443 1.76 . . . . 0.0 111.043 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.583 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -57.37 -81.19 0.07 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.447 1.092 . . . . 0.0 111.035 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.507 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.2 -165.3 30.55 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 9.9 tt0 -122.42 -13.58 8.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.564 0.802 . . . . 0.0 110.282 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -118.36 -1.03 11.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.337 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.507 ' CG1' ' HA3' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -100.05 -30.08 3.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.532 HD21 ' HD1' ' A' ' 39' ' ' HIS . 1.8 mt -75.67 -37.47 59.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.583 ' HB3' HG21 ' A' ' 21' ' ' THR . 5.4 ptm180 -86.9 -22.33 25.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.412 1.07 . . . . 0.0 110.237 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.413 ' HB2' ' HA ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -47.43 -24.79 0.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 110.283 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.465 ' O ' HG12 ' A' ' 23' ' ' VAL . 26.3 mm100 -122.35 33.74 5.37 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.093 . . . . 0.0 110.329 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.871 ' HB2' HG23 ' A' ' 21' ' ' THR . . . -84.78 52.91 2.53 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.19 -35.91 0.03 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.454 1.096 . . . . 0.0 110.977 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.516 ' O ' HG22 ' A' ' 24' ' ' ILE . . . -104.93 -142.15 11.24 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.426 ' HB2' HG22 ' A' ' 55' ' ' THR . 7.6 p-10 -110.0 118.88 37.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 0.728 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.464 ' HB3' ' HB ' ' A' ' 23' ' ' VAL . . . -94.16 -14.52 25.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.615 1.197 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.446 ' O ' ' CG ' ' A' ' 59' ' ' GLU . 0.5 OUTLIER -49.64 -27.02 4.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.575 1.172 . . . . 0.0 110.408 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.81 -45.21 62.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.477 ' CB ' HBC1 ' A' ' 95' ' ' HEM . 83.2 m-20 -83.63 -30.78 26.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.568 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -69.1 -39.5 78.93 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.41 1.069 . . . . 0.0 110.994 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.446 ' CG ' ' O ' ' A' ' 55' ' ' THR . 2.6 pp20? -76.44 -23.05 53.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.41 ' HB3' ' O ' ' A' ' 57' ' ' ASN . 3.0 t0 -59.27 -58.19 9.74 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.536 1.147 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -60.08 -19.05 17.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.61 79.68 0.23 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.534 ' CE1' ' NC ' ' A' ' 95' ' ' HEM . 61.6 m80 -72.28 133.8 45.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 0.778 . . . . 0.0 109.616 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.473 ' O ' ' HB ' ' A' ' 67' ' ' VAL . 24.9 p -63.84 163.42 11.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.98 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 52.3 m -72.79 -6.57 45.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.427 1.079 . . . . 0.0 110.375 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.402 ' O ' ' CD ' ' A' ' 69' ' ' GLU . 10.4 m-20 -86.19 -7.7 58.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.583 HG22 ' CHB' ' A' ' 95' ' ' HEM . 0.7 OUTLIER -67.5 -32.27 56.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.451 ' HB3' ' NH1' ' A' ' 68' ' ' ARG . 9.8 ttp-105 -60.69 -39.23 87.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 110.326 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.521 ' HG2' HD23 ' A' ' 70' ' ' LEU . 3.2 pt-20 -54.4 -24.71 20.94 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.554 1.159 . . . . 0.0 110.337 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.521 HD23 ' HG2' ' A' ' 69' ' ' GLU . 3.2 mm? -85.06 -56.59 3.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.474 ' HB2' ' CD2' ' A' ' 30' ' ' TYR . 86.1 p -45.06 -28.77 0.75 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.137 . . . . 0.0 109.946 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.42 -34.01 0.48 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.7 m -102.56 -30.91 10.68 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.512 1.132 . . . . 0.0 110.447 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.569 ' CE2' ' CB ' ' A' ' 35' ' ' PHE . 7.2 m-85 -99.96 70.09 1.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.976 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.931 HD11 ' CE2' ' A' ' 30' ' ' TYR . 1.6 mm -138.02 151.65 25.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.92 HG12 HG13 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -122.9 -43.86 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.543 ' CA ' HG21 ' A' ' 4' ' ' VAL . . . 150.07 -115.81 0.74 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.479 1.112 . . . . 0.0 110.975 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -165.25 119.76 1.28 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 0.749 . . . . 0.0 110.293 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.847 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -48.58 162.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.583 ' N ' HD22 ' A' ' 79' ' ' LEU . 7.6 t-80 -41.84 143.01 1.01 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.62 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.65 ' HA ' ' CE1' ' A' ' 27' ' ' HIS . 18.2 Cg_endo -75.06 -29.82 7.73 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.438 1.757 . . . . 0.0 111.026 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.471 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 2.4 t0 -72.28 -39.11 68.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.432 ' CG ' ' HB ' ' A' ' 8' ' ' THR . 3.4 m-20 -77.17 -24.77 51.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.748 ' HB2' HD11 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -65.53 -33.88 76.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.324 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.421 ' N ' ' HD3' ' A' ' 84' ' ' ARG . 28.4 t -77.28 -9.79 59.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.423 1.077 . . . . 0.0 110.019 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -85.86 -27.11 25.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.428 1.08 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.874 HD11 HD21 ' A' ' 9' ' ' LEU . 11.5 mm -63.3 -12.02 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.963 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 95' ' ' HEM . . . . . 0.583 ' CHB' HG22 ' A' ' 67' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.595 HG11 ' HG2' ' A' ' 78' ' ' GLU . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.611 ' O ' ' CZ ' ' A' ' 7' ' ' TYR . 0.6 OUTLIER -94.76 136.14 35.42 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.562 1.164 . . . . 0.0 109.239 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -87.95 91.26 8.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.99 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.611 ' CZ ' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -100.22 129.79 46.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 111.015 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.563 HG22 ' HB2' ' A' ' 80' ' ' HIS . 61.9 p -76.88 155.4 32.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.444 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.589 HD23 ' CG1' ' A' ' 87' ' ' ILE . 0.0 OUTLIER -36.59 -35.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.221 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 8' ' ' THR . 3.2 tt0 -40.66 -28.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.281 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.424 ' N ' ' C ' ' A' ' 9' ' ' LEU . 17.3 mm-40 -98.93 -54.69 2.92 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 0.0 110.234 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.664 HD12 ' H ' ' A' ' 12' ' ' ILE . 4.4 mp -53.53 -37.91 32.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.41 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 11.4 pt20 -72.48 -31.42 65.38 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.113 . . . . 0.0 110.329 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.59 -4.96 40.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.397 1.061 . . . . 0.0 109.338 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.671 ' ND1' ' CZ2' ' A' ' 22' ' ' TRP . 15.8 m-70 -114.07 57.16 0.7 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.15 . . . . 0.0 109.594 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.01 55.94 0.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.346 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 20' ' ' SER . 0.2 OUTLIER -143.0 157.18 44.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 68.3 p -50.86 -42.85 59.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 110.03 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.92 -39.2 88.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 17' ' ' ASP . 0.6 OUTLIER -140.07 113.59 8.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.045 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.842 HG21 ' HB3' ' A' ' 47' ' ' ARG . 1.8 m -153.81 118.69 5.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 110.393 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.671 ' CZ2' ' ND1' ' A' ' 15' ' ' HIS . 0.4 OUTLIER -126.92 -179.99 5.11 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.031 -1.099 . . . . 0.0 108.031 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.647 ' HB ' ' HB3' ' A' ' 54' ' ' ALA . 16.1 m -153.76 114.23 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.688 HG22 ' HB ' ' A' ' 29' ' ' VAL . 1.3 pp -67.54 87.91 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.619 HD23 HG23 ' A' ' 23' ' ' VAL . 2.7 pp -114.96 130.81 57.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.529 ' O ' ' CD ' ' A' ' 28' ' ' LYS . 1.5 t60 70.11 31.92 3.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.594 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.471 ' CG ' ' O ' ' A' ' 27' ' ' HIS . 56.0 t60 67.59 7.58 5.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.602 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.529 ' CD ' ' O ' ' A' ' 26' ' ' HIS . 0.2 OUTLIER -134.76 121.28 20.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.346 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.969 HG13 HG12 ' A' ' 76' ' ' ILE . 1.7 p -78.72 151.9 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.348 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.917 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 7.6 m-85 -128.15 127.6 43.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.997 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.654 ' OD1' HG22 ' A' ' 33' ' ' THR . 6.1 t0 -87.79 77.15 8.64 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.644 HD23 ' O ' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -86.83 12.29 11.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.393 1.058 . . . . 0.0 109.305 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.654 HG22 ' OD1' ' A' ' 31' ' ' ASP . 1.2 t -61.41 -15.97 42.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 0.0 110.337 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.26 -52.73 4.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.58 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -87.54 10.26 18.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.587 1.179 . . . . 0.0 111.046 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -55.16 -41.45 71.85 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.48 1.113 . . . . 0.0 109.264 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.6 -24.89 45.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.348 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -83.46 -3.54 57.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.532 1.145 . . . . 0.0 110.335 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.606 ' CE1' ' HA3' ' A' ' 41' ' ' GLY . 32.3 t-80 -85.97 132.07 44.95 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.611 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.581 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.4 Cg_endo -74.99 -13.2 21.49 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.488 1.783 . . . . 0.0 111.033 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.606 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -59.53 -82.05 0.07 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.544 1.153 . . . . 0.0 111.033 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.451 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.15 -163.64 27.87 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.45 ' O ' ' CG ' ' A' ' 43' ' ' GLU . 8.0 tt0 -122.46 -10.69 8.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 110.275 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.402 ' O ' ' HB2' ' A' ' 48' ' ' GLU . 4.5 pm0 -121.24 -1.11 9.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 110.276 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.451 ' CG1' ' HA3' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -100.11 -25.23 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.554 HD21 ' HD1' ' A' ' 39' ' ' HIS . 1.4 mt -82.22 -33.45 29.3 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.842 ' HB3' HG21 ' A' ' 21' ' ' THR . 0.0 OUTLIER -92.49 -20.02 21.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 110.305 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.402 ' HB2' ' O ' ' A' ' 44' ' ' GLU . 1.8 tm-20 -48.88 -25.21 1.78 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.17 . . . . 0.0 110.306 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.612 ' O ' HG12 ' A' ' 23' ' ' VAL . 23.8 mm-40 -117.67 31.87 6.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.786 ' HB2' HG23 ' A' ' 21' ' ' THR . . . -88.43 60.87 5.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.26 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.13 -38.41 0.03 OUTLIER Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.44 1.087 . . . . 0.0 111.03 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -116.13 -132.07 4.94 Favored Glycine 0 CA--C 1.531 1.059 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.54 ' HB2' HG22 ' A' ' 55' ' ' THR . 4.6 p-10 -109.99 117.12 32.92 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 0.768 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.647 ' HB3' ' HB ' ' A' ' 23' ' ' VAL . . . -90.47 -9.92 45.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.54 HG22 ' HB2' ' A' ' 53' ' ' ASP . 0.1 OUTLIER -49.52 -30.0 7.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.365 1.041 . . . . 0.0 110.369 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.81 -46.12 63.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.3 m-20 -80.81 -30.66 35.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.583 1.177 . . . . 0.0 109.246 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.54 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -71.64 -39.68 70.23 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.572 1.17 . . . . 0.0 110.971 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.438 ' CG ' ' O ' ' A' ' 55' ' ' THR . 2.1 pp20? -79.85 -17.02 54.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.285 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -59.9 -53.56 56.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.447 ' CG1' ' CE1' ' A' ' 63' ' ' HIS . 0.5 OUTLIER -66.84 -17.75 23.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.376 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 65.86 78.78 0.22 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.475 1.11 . . . . 0.0 110.986 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.46 ' ND1' ' O ' ' A' ' 58' ' ' PHE . 75.2 m80 -72.49 140.06 48.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.431 0.724 . . . . 0.0 109.609 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.412 ' O ' ' HB ' ' A' ' 67' ' ' VAL . 1.6 t -63.34 169.11 3.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.565 1.166 . . . . 0.0 109.972 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.2 t -73.32 -10.91 60.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.163 . . . . 0.0 110.367 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.478 ' O ' HD23 ' A' ' 70' ' ' LEU . 2.9 m-20 -85.2 -3.77 58.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.15 . . . . 0.0 109.31 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.616 HG22 ' CHB' ' A' ' 95' ' ' HEM . 0.8 OUTLIER -80.8 -23.23 10.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 17.7 ttt-85 -72.68 -30.96 64.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.573 1.171 . . . . 0.0 110.268 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -93.11 7.89 42.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.478 HD23 ' O ' ' A' ' 66' ' ' ASP . 0.3 OUTLIER -80.77 -60.72 2.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.9 m -86.4 69.19 10.4 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.111 . . . . 0.0 109.983 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -76.86 -51.21 11.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.9 m -89.31 -37.27 15.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.42 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.488 ' O ' ' C ' ' A' ' 75' ' ' ILE . 22.5 m-30 -51.73 -46.21 63.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 111.026 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.917 HD11 ' CZ ' ' A' ' 30' ' ' TYR . 1.2 mm -33.86 140.14 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.969 HG12 HG13 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -103.67 -47.73 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.262 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.58 ' HA2' HG21 ' A' ' 4' ' ' VAL . . . 158.36 -112.69 0.54 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.503 1.127 . . . . 0.0 110.951 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.595 ' HG2' HG11 ' A' ' 4' ' ' VAL . 2.4 pt-20 -168.48 119.47 0.78 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.52 0.776 . . . . 0.0 110.315 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.862 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -56.23 163.81 1.51 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.59 ' CE1' ' HB2' ' A' ' 82' ' ' ASP . 3.3 t-80 -42.07 141.02 1.43 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.581 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.556 ' HD2' ' CD2' ' A' ' 80' ' ' HIS . 18.3 Cg_endo -74.97 -28.41 9.25 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.477 1.778 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.59 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 0.5 OUTLIER -76.12 -31.75 58.8 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.407 ' OD2' HD11 ' A' ' 9' ' ' LEU . 2.7 m-20 -86.33 -19.74 29.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.82 ' HB2' HD11 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -70.1 -30.35 67.53 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.534 1.146 . . . . 0.0 110.276 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.408 ' N ' ' HD3' ' A' ' 84' ' ' ARG . 1.0 OUTLIER -87.99 -11.15 48.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.368 1.042 . . . . 0.0 109.98 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.6 mtpt -94.33 -16.33 23.61 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.589 ' CG1' HD23 ' A' ' 9' ' ' LEU . 13.2 mt -68.98 -6.38 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 109.338 179.996 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 95' ' ' HEM . . . . . 0.616 ' CHB' HG22 ' A' ' 67' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.579 HG21 ' CA ' ' A' ' 77' ' ' GLY . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.48 ' O ' ' CE2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -88.69 139.03 30.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -91.89 90.88 7.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.577 1.173 . . . . 0.0 110.974 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.505 ' O ' ' HA ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -98.03 129.97 44.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 111.022 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.726 HG22 ' HB2' ' A' ' 80' ' ' HIS . 13.2 p -81.2 158.37 24.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.429 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.883 HD21 HD11 ' A' ' 87' ' ' ILE . 0.8 OUTLIER -35.51 -40.59 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 9' ' ' LEU . 4.8 tp10 -34.69 -32.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.274 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.511 ' N ' ' O ' ' A' ' 9' ' ' LEU . 17.6 mm-40 -96.65 -51.95 4.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.495 ' CD1' ' HB3' ' A' ' 79' ' ' LEU . 0.5 OUTLIER -50.66 -38.67 17.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.167 . . . . 0.0 109.345 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.545 ' CG ' ' O ' ' A' ' 9' ' ' LEU . 0.8 OUTLIER -77.18 -25.34 51.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.093 . . . . 0.0 110.348 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -75.19 -13.12 60.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.594 ' ND1' ' CZ2' ' A' ' 22' ' ' TRP . 9.9 m-70 -116.93 55.27 0.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.419 1.075 . . . . 0.0 109.589 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.7 tttm -108.97 64.43 0.61 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -157.25 152.97 26.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.423 1.077 . . . . 0.0 109.291 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 19' ' ' LYS . 8.0 t -39.58 -58.94 1.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.975 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -39.8 -54.28 2.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.31 109.85 7.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 110.021 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.815 HG21 ' HB3' ' A' ' 47' ' ' ARG . 1.6 m -140.94 122.55 15.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.413 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.694 ' O ' HG13 ' A' ' 23' ' ' VAL . 1.4 m0 -120.56 -173.72 2.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 107.997 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.893 HG22 HD21 ' A' ' 32' ' ' LEU . 5.6 m -159.98 111.72 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 109.342 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.755 HD13 ' C ' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -71.61 99.67 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 109.38 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.682 HD11 ' CE1' ' A' ' 30' ' ' TYR . 4.3 pp -118.2 133.59 55.77 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.564 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 0.2 OUTLIER 54.49 35.05 22.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.592 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.564 ' CG ' ' O ' ' A' ' 27' ' ' HIS . 3.6 t60 70.67 8.29 6.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.575 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.564 ' HG2' ' O ' ' A' ' 26' ' ' HIS . 0.0 OUTLIER -124.04 117.15 24.06 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.507 1.129 . . . . 0.0 109.249 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.938 HG13 HG12 ' A' ' 76' ' ' ILE . 5.4 p -88.41 141.92 13.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.586 1.179 . . . . 0.0 109.245 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.682 ' CE1' HD11 ' A' ' 25' ' ' LEU . 28.4 m-85 -124.53 132.87 53.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.093 . . . . 0.0 111.037 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.5 ' CB ' HG22 ' A' ' 76' ' ' ILE . 15.3 t70 -90.67 79.82 6.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.893 HD21 HG22 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -86.8 14.91 6.37 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.535 ' HA ' HD12 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -63.81 -17.86 63.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 110.415 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -90.08 -54.96 3.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.354 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.642 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -85.01 12.03 8.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 111.031 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.535 HD12 ' HA ' ' A' ' 33' ' ' THR . 0.2 OUTLIER -56.46 -40.22 74.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.38 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.65 -19.2 45.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.6 -2.35 58.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.339 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.593 ' CE1' ' HA3' ' A' ' 41' ' ' GLY . 28.5 t-80 -91.29 131.27 37.07 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.574 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.587 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.1 Cg_endo -74.97 -9.84 21.0 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.593 1.839 . . . . 0.0 111.019 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.593 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -61.43 -81.32 0.09 OUTLIER Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.485 1.116 . . . . 0.0 111.055 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.458 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.25 -165.28 30.56 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.455 ' O ' ' CG ' ' A' ' 43' ' ' GLU . 14.0 tt0 -122.71 -10.39 8.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 0.747 . . . . 0.0 110.248 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.564 ' O ' ' CG ' ' A' ' 44' ' ' GLU . 5.0 tt0 -120.68 -2.0 9.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.458 ' CG1' ' HA3' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -99.82 -27.51 3.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.383 1.052 . . . . 0.0 109.333 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.513 HD21 ' HD1' ' A' ' 39' ' ' HIS . 1.2 mt -79.57 -33.71 41.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.133 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.815 ' HB3' HG21 ' A' ' 21' ' ' THR . 10.0 ptm180 -90.26 -21.54 22.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.258 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -52.37 -29.31 23.3 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.525 HE21 ' HA ' ' A' ' 49' ' ' GLN . 3.2 mm-40 -105.41 15.9 26.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 110.258 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.809 ' HB2' HG23 ' A' ' 21' ' ' THR . . . -80.37 54.99 2.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.08 -35.42 0.03 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.473 1.108 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.476 ' O ' ' CG2' ' A' ' 24' ' ' ILE . . . -118.77 -127.43 3.68 Favored Glycine 0 CA--C 1.529 0.969 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 26.3 p-10 -109.64 123.83 50.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 0.747 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.468 ' CB ' ' HB ' ' A' ' 23' ' ' VAL . . . -93.23 -21.4 19.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 109.286 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.589 ' HA ' ' HB3' ' A' ' 58' ' ' PHE . 0.2 OUTLIER -49.53 -47.41 48.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 110.403 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.37 -32.17 4.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.527 ' O ' HG12 ' A' ' 61' ' ' VAL . 6.3 m-20 -100.09 -45.51 5.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.589 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 1.0 OUTLIER -58.57 -39.96 81.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.574 1.171 . . . . 0.0 111.025 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.498 ' HB2' ' O ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -80.72 -19.38 45.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 110.277 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.487 ' HB3' ' O ' ' A' ' 57' ' ' ASN . 0.2 OUTLIER -67.02 -55.57 13.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.527 HG12 ' O ' ' A' ' 57' ' ' ASN . 0.6 OUTLIER -59.82 -18.33 15.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 68.14 78.63 0.29 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.522 1.139 . . . . 0.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.489 ' ND1' ' O ' ' A' ' 58' ' ' PHE . 56.5 m80 -75.5 140.13 42.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 0.752 . . . . 0.0 109.612 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 41.0 t -54.54 157.85 2.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.402 1.064 . . . . 0.0 109.947 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.7 m -78.37 -25.7 46.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 110.413 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -85.19 7.8 20.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -77.43 -25.97 15.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.283 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -59.94 -23.38 63.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 110.348 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -71.65 -21.59 61.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.57 1.169 . . . . 0.0 110.237 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.94 -62.61 1.49 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.217 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 62.3 p -74.85 86.19 2.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.596 1.185 . . . . 0.0 109.987 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.511 ' O ' ' CG1' ' A' ' 75' ' ' ILE . 0.1 OUTLIER -127.71 -43.3 1.56 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.1 m -90.73 -19.81 23.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.354 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.405 ' O ' ' C ' ' A' ' 75' ' ' ILE . 14.5 m-85 -85.81 -36.63 19.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.597 HG22 ' CD2' ' A' ' 30' ' ' TYR . 0.7 OUTLIER -39.15 141.26 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.91 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.938 HG12 HG13 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -103.23 -42.02 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.579 ' CA ' HG21 ' A' ' 4' ' ' VAL . . . 151.62 -116.14 0.74 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -160.74 120.02 2.65 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 0.777 . . . . 0.0 110.311 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.908 HD11 ' HB3' ' A' ' 84' ' ' ARG . 0.0 OUTLIER -54.31 159.3 2.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.263 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.726 ' HB2' HG22 ' A' ' 8' ' ' THR . 2.6 t-80 -35.67 139.11 0.39 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.561 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.549 ' O ' ' HG3' ' A' ' 84' ' ' ARG . 18.3 Cg_endo -75.07 -24.36 12.78 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.526 1.803 . . . . 0.0 110.994 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.7 -17.23 51.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.5 ' HB2' ' CD2' ' A' ' 79' ' ' LEU . 0.5 OUTLIER -89.7 -43.4 10.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.908 ' HB3' HD11 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -59.62 -23.13 62.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 110.334 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.88 -8.98 29.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 109.955 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -82.03 -32.45 30.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.435 1.084 . . . . 0.0 109.351 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.883 HD11 HD21 ' A' ' 9' ' ' LEU . 28.5 mt -69.35 -6.53 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.127 . . . . 0.0 109.243 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.14 . . . . 0.0 109.337 179.971 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 95' ' ' HEM . . . . . 0.82 ' CBB' HD22 ' A' ' 32' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.546 HG21 ' CA ' ' A' ' 77' ' ' GLY . 1.1 t . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.675 ' O ' ' CE2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -99.42 141.42 32.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -79.95 101.69 8.77 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.675 ' CE2' ' O ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -103.8 129.84 51.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 111.006 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.812 HG22 ' CB ' ' A' ' 80' ' ' HIS . 44.3 p -81.76 160.89 23.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.395 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 1.027 HD21 HD11 ' A' ' 87' ' ' ILE . 1.0 OUTLIER -34.75 -39.82 0.1 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 9' ' ' LEU . 67.7 tt0 -35.84 -31.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.24 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' A' ' 9' ' ' LEU . 20.0 mm-40 -102.54 -46.67 4.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.323 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.743 HD11 HG11 ' A' ' 29' ' ' VAL . 0.4 OUTLIER -54.88 -36.51 37.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.282 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.529 ' CG ' ' O ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -82.14 -24.74 34.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.596 1.185 . . . . 0.0 110.242 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.88 -30.55 65.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.658 ' ND1' ' CZ2' ' A' ' 22' ' ' TRP . 13.3 m-70 -93.93 58.79 2.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.598 1.186 . . . . 0.0 109.649 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.3 tmtt? -110.2 60.77 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 20' ' ' SER . 3.0 m-20 -155.42 151.0 27.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.255 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.6 t -39.61 -51.11 2.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.024 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.443 ' O ' HG21 ' A' ' 33' ' ' THR . 0.0 OUTLIER -48.8 -46.81 42.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.435 1.084 . . . . 0.0 109.316 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 17' ' ' ASP . 0.3 OUTLIER -140.13 113.15 8.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.133 . . . . 0.0 109.989 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.719 HG23 ' HB2' ' A' ' 50' ' ' ALA . 7.6 m -145.68 116.83 7.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 110.423 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.667 ' O ' HG13 ' A' ' 23' ' ' VAL . 1.1 m0 -121.9 -177.82 3.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 108.009 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.667 HG13 ' O ' ' A' ' 22' ' ' TRP . 10.6 m -159.25 109.85 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.427 1.079 . . . . 0.0 109.361 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.777 HG22 ' O ' ' A' ' 52' ' ' GLY . 0.1 OUTLIER -63.94 109.07 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.475 HD12 ' O ' ' A' ' 25' ' ' LEU . 4.3 pp -132.67 129.54 38.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 31.4 m80 61.92 34.5 16.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 109.591 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.627 ' HA ' HD11 ' A' ' 24' ' ' ILE . 10.4 m-70 70.11 2.27 3.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.544 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.41 ' O ' ' O ' ' A' ' 25' ' ' LEU . 0.3 OUTLIER -123.21 117.98 26.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.23 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.952 HG13 HG12 ' A' ' 76' ' ' ILE . 5.5 p -84.99 141.96 13.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 1.125 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 5.1 m-85 -123.18 134.42 54.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 0.0 110.985 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.548 ' HB2' HG22 ' A' ' 76' ' ' ILE . 22.3 t70 -85.42 86.34 7.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.494 HD21 ' CB ' ' A' ' 30' ' ' TYR . 1.3 mt -82.85 12.29 5.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.516 ' HA ' HD12 ' A' ' 36' ' ' LEU . 0.4 OUTLIER -69.78 -18.66 63.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 110.405 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.19 -52.48 4.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.25 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.691 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -89.98 15.75 9.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.968 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.516 HD12 ' HA ' ' A' ' 33' ' ' THR . 0.2 OUTLIER -57.42 -50.36 73.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.348 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.46 -22.75 61.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.446 1.091 . . . . 0.0 110.328 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -82.19 -1.64 49.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 110.248 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.597 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 28.6 t-80 -94.08 131.48 31.52 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.626 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.597 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.3 Cg_endo -74.97 -8.82 20.45 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.502 1.791 . . . . 0.0 111.004 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.567 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -62.65 -80.76 0.11 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.559 1.162 . . . . 0.0 110.957 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.482 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.21 -164.01 28.51 Favored Glycine 0 CA--C 1.531 1.051 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 12.4 tt0 -123.34 -12.57 7.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 0.783 . . . . 0.0 110.304 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -118.77 -7.72 10.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.272 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.482 ' CG1' ' HA3' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -93.61 -27.54 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 109.275 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.527 HD21 ' HD1' ' A' ' 39' ' ' HIS . 2.0 mt -77.31 -36.45 54.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.529 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -87.73 -19.68 27.26 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.45 ' O ' ' NE2' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -53.03 -21.97 5.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.313 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.45 ' NE2' ' O ' ' A' ' 48' ' ' GLU . 64.8 mm-40 -124.82 30.21 5.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.31 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.719 ' HB2' HG23 ' A' ' 21' ' ' THR . . . -87.2 57.72 4.62 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -169.99 -36.17 0.03 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.545 1.153 . . . . 0.0 111.016 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.777 ' O ' HG22 ' A' ' 24' ' ' ILE . . . -106.7 -136.17 8.19 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.43 ' O ' ' CG ' ' A' ' 56' ' ' GLU . 25.3 p-10 -109.81 117.23 33.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 0.786 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.576 ' HB3' ' HB ' ' A' ' 23' ' ' VAL . . . -91.42 -19.62 22.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.118 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.444 ' HA ' ' HB3' ' A' ' 58' ' ' PHE . 0.6 OUTLIER -49.78 -29.39 7.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.421 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.43 ' CG ' ' O ' ' A' ' 53' ' ' ASP . 0.1 OUTLIER -68.84 -46.34 68.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.333 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.452 ' CB ' HBC1 ' A' ' 95' ' ' HEM . 2.8 m120 -80.92 -33.4 34.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.578 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 0.7 OUTLIER -66.61 -39.78 88.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 111.008 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.407 ' C ' ' CD ' ' A' ' 59' ' ' GLU . 2.3 pp20? -78.26 -21.61 49.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.255 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -62.64 -56.43 17.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.42 ' H ' HG12 ' A' ' 61' ' ' VAL . 1.1 p -60.17 -21.45 22.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 71.71 77.29 0.54 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.542 1.151 . . . . 0.0 110.959 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.463 ' ND1' ' O ' ' A' ' 58' ' ' PHE . 48.0 m80 -70.31 140.16 52.22 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.493 0.761 . . . . 0.0 109.58 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.422 ' O ' ' HB ' ' A' ' 67' ' ' VAL . 4.5 t -63.46 168.0 4.99 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.471 1.107 . . . . 0.0 110.057 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 11.2 t -73.95 -10.21 59.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.4 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -86.77 -3.6 59.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.646 HG22 ' CHB' ' A' ' 95' ' ' HEM . 1.2 t -82.6 -37.07 13.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.339 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.7 ttt180 -63.53 -29.43 70.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 110.248 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -90.49 -28.46 18.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 110.257 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.48 -59.88 3.35 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.2 m -75.62 123.65 25.88 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.998 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.89 -64.41 0.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.3 m -77.42 -29.51 53.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.456 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.419 ' O ' ' C ' ' A' ' 75' ' ' ILE . 21.0 m-85 -62.13 -38.24 88.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 1.125 HD11 ' CZ ' ' A' ' 30' ' ' TYR . 0.6 OUTLIER -38.96 140.06 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.536 1.147 . . . . 0.0 109.267 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.952 HG12 HG13 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -99.68 -48.48 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.426 1.079 . . . . 0.0 109.306 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.546 ' CA ' HG21 ' A' ' 4' ' ' VAL . . . 162.25 -111.37 0.47 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.411 1.07 . . . . 0.0 110.975 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -164.36 119.69 1.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 0.736 . . . . 0.0 110.358 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.964 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -61.77 155.27 23.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.168 . . . . 0.0 109.327 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.812 ' CB ' HG22 ' A' ' 8' ' ' THR . 1.8 t-80 -32.32 134.59 0.27 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.562 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -18.5 18.67 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.515 1.798 . . . . 0.0 110.969 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -80.02 -36.77 35.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.67 -28.94 40.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.789 ' HB2' HD11 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -63.06 -35.54 80.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.572 1.17 . . . . 0.0 110.366 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.2 t -85.91 -12.04 51.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.006 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -81.89 -34.78 29.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 1.027 HD11 HD21 ' A' ' 9' ' ' LEU . 14.5 mt -68.89 -11.07 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 87' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.372 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' HEM . . . . . 0.646 ' CHB' HG22 ' A' ' 67' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.822 HG21 ' HA3' ' A' ' 77' ' ' GLY . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.64 ' O ' ' CE2' ' A' ' 7' ' ' TYR . 1.0 OUTLIER -93.52 124.7 37.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -80.22 87.61 5.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.64 ' CE2' ' O ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -97.56 129.78 44.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 111.021 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.58 HG22 ' HB2' ' A' ' 80' ' ' HIS . 66.5 p -77.72 164.3 25.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.44 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.7 mp -42.93 -31.02 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.411 ' C ' ' OE1' ' A' ' 11' ' ' GLU . 0.8 OUTLIER -48.39 -23.41 0.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 110.325 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.411 ' OE1' ' C ' ' A' ' 10' ' ' GLU . 3.1 mm-40 -100.48 -54.33 2.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.144 . . . . 0.0 110.353 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.592 HD12 ' H ' ' A' ' 12' ' ' ILE . 4.7 mp -55.06 -33.64 29.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.251 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -56.24 -38.8 71.58 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.72 -8.43 54.15 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.509 1.13 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.801 ' CD2' ' CH2' ' A' ' 22' ' ' TRP . 93.6 m-70 -108.84 46.11 0.99 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 0.0 109.558 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.9 ttmt -110.19 56.69 0.62 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.107 . . . . 0.0 109.256 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 18' ' ' SER . 2.2 t70 -157.31 152.21 25.72 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 17' ' ' ASP . 85.0 p -37.49 -56.32 1.02 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.41 1.069 . . . . 0.0 110.028 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.2 -51.25 6.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.363 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.42 ' O ' ' O ' ' A' ' 15' ' ' HIS . 0.1 OUTLIER -135.61 110.6 8.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.982 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.698 HG23 ' HB2' ' A' ' 50' ' ' ALA . 18.7 m -140.99 117.23 10.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.461 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.801 ' CH2' ' CD2' ' A' ' 15' ' ' HIS . 2.6 m0 -121.76 -175.67 3.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 108.061 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 1.045 HG22 HD21 ' A' ' 32' ' ' LEU . 15.4 m -159.28 108.76 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.411 1.069 . . . . 0.0 109.327 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.807 HG22 ' HB ' ' A' ' 29' ' ' VAL . 1.1 pp -67.99 102.08 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.534 HD23 HG23 ' A' ' 23' ' ' VAL . 3.8 pp -121.09 122.55 40.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.227 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.461 ' O ' ' CD ' ' A' ' 28' ' ' LYS . 2.2 m80 62.6 35.86 14.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.596 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.55 ' CG ' ' O ' ' A' ' 27' ' ' HIS . 1.1 t60 70.24 3.54 4.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.555 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.461 ' CD ' ' O ' ' A' ' 26' ' ' HIS . 0.1 OUTLIER -117.81 109.18 16.25 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.995 HG13 HG12 ' A' ' 76' ' ' ILE . 2.9 p -84.75 138.94 18.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.475 1.109 . . . . 0.0 109.337 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.941 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 4.0 m-85 -119.87 134.26 55.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.968 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.521 ' HA ' ' CD1' ' A' ' 22' ' ' TRP . 14.1 t70 -89.77 77.07 7.12 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.453 1.096 . . . . 0.0 109.221 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 1.045 HD21 HG22 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -82.45 15.83 2.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.457 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 0.5 OUTLIER -64.72 -20.75 66.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.437 1.085 . . . . 0.0 110.425 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -90.19 -52.96 4.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.658 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -85.64 12.01 9.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.165 . . . . 0.0 110.94 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.461 ' HB2' ' O ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -56.27 -42.85 78.09 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.405 1.066 . . . . 0.0 109.274 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -79.27 -22.7 44.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 110.329 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -82.09 -4.39 56.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.286 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.62 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 27.9 t-80 -89.19 131.74 39.85 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 109.603 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.62 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.4 Cg_endo -74.97 -8.17 19.86 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.514 1.797 . . . . 0.0 110.975 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.574 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -63.57 -80.68 0.12 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.473 1.108 . . . . 0.0 110.95 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.486 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.08 -167.75 34.06 Favored Glycine 0 CA--C 1.528 0.899 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.419 ' O ' ' CG ' ' A' ' 43' ' ' GLU . 8.3 tt0 -122.43 -12.18 8.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 0.743 . . . . 0.0 110.371 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.558 ' O ' ' CG ' ' A' ' 44' ' ' GLU . 6.2 tt0 -118.46 -2.6 11.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.342 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.486 ' CG1' ' HA3' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -99.94 -30.94 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.374 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.515 HD21 ' HD1' ' A' ' 39' ' ' HIS . 2.2 mt -73.83 -36.38 64.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.157 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.678 ' HB3' HG21 ' A' ' 21' ' ' THR . 8.1 ptm180 -86.81 -26.67 23.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 110.329 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.432 ' HB2' ' O ' ' A' ' 44' ' ' GLU . 0.5 OUTLIER -51.08 -21.13 1.71 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 110.341 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.499 ' HB2' ' HB2' ' A' ' 54' ' ' ALA . 8.1 mt-30 -120.89 27.68 8.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.413 1.07 . . . . 0.0 110.263 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.698 ' HB2' HG23 ' A' ' 21' ' ' THR . . . -90.58 60.46 4.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.251 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.09 -37.11 0.03 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.483 1.115 . . . . 0.0 110.953 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.421 ' O ' HG13 ' A' ' 24' ' ' ILE . . . -112.26 -135.94 6.65 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -109.82 120.52 42.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.418 0.717 . . . . 0.0 109.272 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.499 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . . . -98.68 -14.24 19.91 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.454 1.097 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.467 ' O ' ' CG ' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -49.61 -28.42 5.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.428 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -71.04 -41.94 70.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.147 . . . . 0.0 110.328 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.442 ' HB2' ' OE1' ' A' ' 49' ' ' GLN . 2.5 m120 -84.5 -35.11 23.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.524 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 1.6 t80 -66.16 -39.6 89.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.084 . . . . 0.0 110.968 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.467 ' CG ' ' O ' ' A' ' 55' ' ' THR . 2.1 pp20? -78.91 -22.08 46.41 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.517 1.136 . . . . 0.0 110.294 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.404 ' HB3' ' O ' ' A' ' 57' ' ' ASN . 0.4 OUTLIER -61.36 -56.48 19.9 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.456 1.097 . . . . 0.0 109.272 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.444 HG21 ' C2D' ' A' ' 95' ' ' HEM . 1.0 OUTLIER -59.85 -16.6 11.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.338 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 65.0 80.74 0.14 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.509 1.13 . . . . 0.0 111.029 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.523 ' HB3' HG21 ' A' ' 67' ' ' VAL . 54.0 m80 -69.93 139.89 52.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.421 0.718 . . . . 0.0 109.639 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.55 167.8 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.09 . . . . 0.0 109.987 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 22.1 p -76.08 -16.7 59.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 110.408 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -89.47 8.23 32.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.523 HG21 ' HB3' ' A' ' 63' ' ' HIS . 0.3 OUTLIER -78.53 -30.15 15.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.448 ' HG3' ' N ' ' A' ' 69' ' ' GLU . 4.3 ptt180 -65.36 -27.57 68.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.255 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.448 ' N ' ' HG3' ' A' ' 68' ' ' ARG . 13.9 pt-20 -100.18 17.49 21.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.79 -64.72 1.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 74.6 m -89.86 96.35 10.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.034 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.88 -63.26 1.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.5 m -71.64 -38.21 70.77 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.522 1.139 . . . . 0.0 110.423 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.443 ' O ' ' C ' ' A' ' 75' ' ' ILE . 18.2 m-85 -54.55 -41.2 69.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.574 1.171 . . . . 0.0 111.028 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.941 HD11 ' CZ ' ' A' ' 30' ' ' TYR . 1.1 mm -35.88 142.49 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.995 HG12 HG13 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -106.78 -43.96 7.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.096 . . . . 0.0 109.271 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.822 ' HA3' HG21 ' A' ' 4' ' ' VAL . . . 155.87 -110.89 0.46 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.454 1.096 . . . . 0.0 111.016 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.434 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 4.1 pt-20 -170.04 119.74 0.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 0.78 . . . . 0.0 110.356 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.995 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -60.64 152.83 25.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.275 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.627 ' N ' HD22 ' A' ' 79' ' ' LEU . 2.0 t-80 -31.08 137.39 0.2 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.654 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 80' ' ' HIS . 18.0 Cg_endo -75.09 -19.16 17.94 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.527 1.804 . . . . 0.0 110.973 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -79.99 -45.42 18.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.42 ' O ' ' HB2' ' A' ' 86' ' ' LYS . 0.4 OUTLIER -66.65 -32.79 74.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.286 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.85 ' HB2' HD11 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -64.81 -39.57 93.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.327 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 47.6 t -87.27 -4.72 59.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 110.0 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.42 ' HB2' ' O ' ' A' ' 83' ' ' ASP . 1.3 mttt -71.23 -41.88 69.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.414 ' O ' ' CG2' ' A' ' 87' ' ' ILE . 21.6 mt -84.9 -7.26 10.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.423 1.077 . . . . 0.0 109.334 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.337 179.955 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 95' ' ' HEM . . . . . 0.913 ' CBB' HD22 ' A' ' 32' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.589 HG21 ' CA ' ' A' ' 77' ' ' GLY . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.552 ' O ' ' CE2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -86.43 135.9 33.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -89.74 93.27 9.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 111.058 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.552 ' CE2' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -98.88 129.84 45.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 110.993 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.826 HG22 ' HB2' ' A' ' 80' ' ' HIS . 19.9 p -84.19 158.26 21.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.404 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.57 HD11 HD11 ' A' ' 87' ' ' ILE . 1.5 mp -35.21 -35.87 0.05 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.555 1.16 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.471 ' O ' ' HB2' ' A' ' 14' ' ' LYS . 3.4 tt0 -36.43 -29.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 110.334 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.533 ' N ' ' O ' ' A' ' 9' ' ' LEU . 3.8 mm-40 -101.43 -54.43 2.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 0.0 110.26 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.547 HD11 ' HB2' ' A' ' 79' ' ' LEU . 3.1 mp -48.14 -40.0 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.243 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.569 ' CG ' ' O ' ' A' ' 9' ' ' LEU . 1.4 pt20 -76.09 -27.73 57.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.362 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.471 ' HB2' ' O ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -75.26 -13.96 60.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.647 ' ND1' ' CZ2' ' A' ' 22' ' ' TRP . 12.7 m-70 -111.7 59.74 0.62 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.621 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -110.11 48.83 0.88 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 18' ' ' SER . 6.7 t0 -142.33 145.32 33.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 17' ' ' ASP . 56.2 p -37.33 -49.4 0.97 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.046 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.44 -55.16 4.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.239 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.25 111.26 7.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.974 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.815 HG21 ' HB3' ' A' ' 47' ' ' ARG . 1.9 m -139.16 127.76 23.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.09 . . . . 0.0 110.438 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.647 ' CZ2' ' ND1' ' A' ' 15' ' ' HIS . 1.2 m0 -125.44 -177.62 3.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 108.021 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 1.075 HG22 HD21 ' A' ' 32' ' ' LEU . 27.9 m -158.51 110.66 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.435 HG22 ' HB ' ' A' ' 29' ' ' VAL . 0.9 OUTLIER -67.84 120.4 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.282 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 28' ' ' LYS . 3.2 pp -141.21 150.27 42.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 7.8 t60 44.27 28.49 0.29 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.605 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.411 ' C ' ' HG2' ' A' ' 28' ' ' LYS . 8.6 m-70 69.79 42.4 1.07 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 109.538 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 25' ' ' LEU . 2.5 ptpt -160.65 120.49 2.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.323 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.867 HG13 HG12 ' A' ' 76' ' ' ILE . 6.0 p -82.89 138.52 19.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 0.0 109.267 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 1.09 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 5.6 m-85 -119.2 136.76 54.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 111.03 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.558 ' HB2' HG22 ' A' ' 76' ' ' ILE . 18.9 t0 -90.47 77.32 6.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 1.075 HD21 HG22 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -88.09 21.35 2.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.553 HG22 ' OD1' ' A' ' 31' ' ' ASP . 1.0 OUTLIER -71.34 -23.68 61.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.425 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.407 ' CE ' ' HA ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -86.32 -50.53 6.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.65 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -86.26 11.68 11.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.085 . . . . 0.0 111.048 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.449 ' CD1' ' HA ' ' A' ' 33' ' ' THR . 0.2 OUTLIER -59.5 -44.97 92.97 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.555 1.16 . . . . 0.0 109.334 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.52 -24.07 50.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.402 1.064 . . . . 0.0 110.276 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -81.2 -8.23 59.72 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.543 1.152 . . . . 0.0 110.283 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.599 ' CE1' ' HA3' ' A' ' 41' ' ' GLY . 34.6 t-80 -85.38 132.78 43.93 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.586 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.582 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.4 Cg_endo -74.99 -14.2 21.22 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.469 1.773 . . . . 0.0 110.988 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.599 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -57.94 -79.65 0.1 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.606 1.191 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.469 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.21 -166.27 32.04 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.436 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 10.6 tt0 -120.06 -14.26 8.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 0.755 . . . . 0.0 110.263 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.534 ' HA ' ' CG ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -113.88 -27.87 7.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 110.299 -179.93 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.495 ' HA ' ' HB2' ' A' ' 48' ' ' GLU . 0.2 OUTLIER -69.39 -42.53 81.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.552 1.157 . . . . 0.0 109.349 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.525 HD21 ' HD1' ' A' ' 39' ' ' HIS . 1.3 mt -61.86 -49.73 75.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.353 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.815 ' HB3' HG21 ' A' ' 21' ' ' THR . 0.8 OUTLIER -74.75 -24.73 58.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.405 1.066 . . . . 0.0 110.277 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.495 ' HB2' ' HA ' ' A' ' 45' ' ' VAL . 0.7 OUTLIER -43.66 -28.31 0.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.39 1.056 . . . . 0.0 110.285 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.675 ' CB ' ' HB2' ' A' ' 54' ' ' ALA . 26.4 mm100 -118.5 40.23 3.27 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.513 1.133 . . . . 0.0 110.25 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.757 ' HB2' HG23 ' A' ' 21' ' ' THR . . . -97.81 57.87 1.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 0.0 109.307 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.13 -36.17 0.03 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -117.14 -128.85 4.15 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 41.0 p-10 -109.91 122.77 48.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 0.75 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.675 ' HB2' ' CB ' ' A' ' 49' ' ' GLN . . . -103.27 -12.97 16.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.237 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.477 ' O ' ' CG ' ' A' ' 59' ' ' GLU . 0.9 OUTLIER -49.56 -29.9 7.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 110.352 -179.938 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.0 -43.93 66.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.3 m-20 -81.56 -31.33 32.72 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.423 1.077 . . . . 0.0 109.303 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.675 ' CE1' ' C4B' ' A' ' 95' ' ' HEM . 11.9 t80 -71.85 -39.67 69.55 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 110.987 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.477 ' CG ' ' O ' ' A' ' 55' ' ' THR . 2.2 pp20? -82.6 -15.1 53.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -57.95 -52.45 65.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.155 . . . . 0.0 109.259 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.451 HG12 ' H ' ' A' ' 61' ' ' VAL . 0.5 OUTLIER -66.76 -16.99 21.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.333 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.28 80.52 0.19 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.622 ' CE1' ' CD1' ' A' ' 58' ' ' PHE . 67.3 m80 -76.41 139.42 40.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 0.773 . . . . 0.0 109.578 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.418 ' O ' ' HB ' ' A' ' 67' ' ' VAL . 3.4 t -68.33 157.86 34.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.002 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 69.9 p -55.8 -17.24 5.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.412 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -73.32 -17.43 61.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.619 HG21 ' CD2' ' A' ' 63' ' ' HIS . 0.4 OUTLIER -69.96 -29.8 41.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.415 1.072 . . . . 0.0 109.357 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.1 tpp180 -64.04 -37.69 88.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -95.88 27.56 3.5 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 0.0 110.324 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.61 -57.6 2.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.351 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.4 p -94.54 70.88 3.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 110.021 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -81.24 -56.75 3.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.9 m -72.63 -45.39 59.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.39 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.478 ' O ' ' C ' ' A' ' 75' ' ' ILE . 20.1 m-85 -50.58 -43.76 56.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 110.949 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 1.09 HD11 ' CZ ' ' A' ' 30' ' ' TYR . 0.7 OUTLIER -33.87 139.87 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.867 HG12 HG13 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -105.43 -49.39 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.589 ' CA ' HG21 ' A' ' 4' ' ' VAL . . . 163.0 -112.8 0.53 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.538 1.149 . . . . 0.0 110.945 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -164.31 119.37 1.48 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 0.747 . . . . 0.0 110.298 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.904 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -52.07 157.73 1.25 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.826 ' HB2' HG22 ' A' ' 8' ' ' THR . 5.1 t-80 -33.98 141.66 0.23 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.632 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.447 ' HD2' ' CG ' ' A' ' 80' ' ' HIS . 18.4 Cg_endo -75.02 -30.39 7.19 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.493 1.786 . . . . 0.0 110.991 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.419 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 2.0 t0 -70.47 -47.08 62.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.543 1.152 . . . . 0.0 109.237 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.417 ' CG ' ' HB ' ' A' ' 8' ' ' THR . 1.0 OUTLIER -65.2 -34.0 77.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.718 ' HB2' HD11 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -60.02 -37.74 80.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.265 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.416 ' N ' ' HD3' ' A' ' 84' ' ' ARG . 41.0 t -77.48 -12.68 59.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.984 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.1 mtpt -93.53 -13.96 27.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.57 HD11 HD11 ' A' ' 9' ' ' LEU . 33.4 mt -71.23 -4.54 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.348 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.961 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 95' ' ' HEM . . . . . 0.751 ' CBB' HD22 ' A' ' 32' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.743 HG21 ' HA3' ' A' ' 77' ' ' GLY . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.628 ' O ' ' CE2' ' A' ' 7' ' ' TYR . 1.3 ttpt -86.31 120.37 27.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -74.11 58.3 0.69 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.435 1.084 . . . . 0.0 110.967 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.628 ' CE2' ' O ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -64.14 129.81 41.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.993 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.712 HG22 ' HB2' ' A' ' 80' ' ' HIS . 44.9 p -78.4 156.31 29.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.165 . . . . 0.0 110.382 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.543 ' N ' HD12 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -37.87 -32.03 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 8' ' ' THR . 0.4 OUTLIER -43.33 -29.97 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 110.276 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -97.75 -52.63 3.68 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.44 1.087 . . . . 0.0 110.287 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.58 HD13 ' HB2' ' A' ' 79' ' ' LEU . 3.6 mp -53.31 -38.92 33.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.42 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 12.5 pt20 -72.86 -27.64 62.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.05 -6.02 39.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.221 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.663 ' ND1' ' CZ2' ' A' ' 22' ' ' TRP . 10.7 m-70 -118.52 59.81 0.81 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.599 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.38 64.05 0.61 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.543 1.152 . . . . 0.0 109.331 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -149.99 165.56 32.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.235 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 76.6 p -61.24 -36.18 79.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.94 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.6 -49.88 71.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.582 1.176 . . . . 0.0 109.32 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.99 105.95 7.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.968 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.487 HG23 ' CB ' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -141.4 128.83 21.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.442 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.663 ' CZ2' ' ND1' ' A' ' 15' ' ' HIS . 1.9 m0 -125.41 -175.02 3.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 107.979 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.705 HG23 HD23 ' A' ' 25' ' ' LEU . 10.6 m -157.16 110.26 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.738 HG22 ' HB ' ' A' ' 29' ' ' VAL . 1.3 pp -69.78 94.71 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.438 1.086 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.705 HD23 HG23 ' A' ' 23' ' ' VAL . 2.9 pp -117.94 142.91 46.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.2 m170 53.51 32.78 14.8 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.538 1.149 . . . . 0.0 109.631 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.699 ' CE1' ' HA ' ' A' ' 81' ' ' PRO . 0.9 OUTLIER 69.41 7.62 6.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.566 1.166 . . . . 0.0 109.613 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.442 ' O ' ' O ' ' A' ' 25' ' ' LEU . 4.8 mttm -126.63 122.64 35.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.324 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.98 HG13 HG12 ' A' ' 76' ' ' ILE . 2.8 p -85.01 139.1 17.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.896 ' CE2' HD11 ' A' ' 75' ' ' ILE . 4.3 m-85 -120.35 130.03 54.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 111.018 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.62 ' CB ' HG22 ' A' ' 76' ' ' ILE . 6.0 t0 -88.22 85.09 6.87 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.531 HD23 ' C ' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -94.39 20.47 8.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -67.29 -16.22 64.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 110.438 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -90.22 -52.48 4.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.584 ' CZ ' ' HB2' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -83.13 6.35 19.49 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.486 HD11 ' CG2' ' A' ' 21' ' ' THR . 0.2 OUTLIER -54.36 -37.76 65.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.241 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -82.99 -20.07 35.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.303 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -84.61 -9.93 57.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.295 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.613 ' HD1' HD21 ' A' ' 46' ' ' LEU . 33.3 t-80 -82.81 132.59 50.98 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.635 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.586 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.4 Cg_endo -74.91 -17.04 20.1 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.552 1.817 . . . . 0.0 111.019 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.589 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -54.64 -80.72 0.07 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.519 1.137 . . . . 0.0 111.029 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.484 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -173.93 -167.89 34.15 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 16.0 tt0 -121.91 -13.65 8.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 0.763 . . . . 0.0 110.296 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -117.22 -1.25 11.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.489 HG22 HD23 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -100.45 -32.85 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.613 HD21 ' HD1' ' A' ' 39' ' ' HIS . 6.3 mt -70.04 -47.14 63.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.519 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -75.61 -27.92 58.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.273 -179.91 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -44.99 -35.09 2.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.563 1.165 . . . . 0.0 110.298 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.406 ' O ' ' HB2' ' A' ' 54' ' ' ALA . 11.7 mm100 -115.06 29.98 7.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.581 1.175 . . . . 0.0 110.365 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.519 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -99.29 67.63 1.58 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.09 -37.03 0.03 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.458 1.099 . . . . 0.0 111.022 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.408 ' O ' ' CG1' ' A' ' 24' ' ' ILE . . . -118.23 -121.22 3.07 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.418 ' OD1' ' HG2' ' A' ' 56' ' ' GLU . 11.6 t70 -109.85 115.67 30.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 0.754 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 49' ' ' GLN . . . -105.36 -21.24 13.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.346 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.473 ' HB ' ' CB ' ' A' ' 25' ' ' LEU . 0.3 OUTLIER -49.54 -21.9 1.1 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 110.42 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.461 ' HG3' ' N ' ' A' ' 57' ' ' ASN . 1.0 OUTLIER -80.55 -36.04 33.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 110.249 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.461 ' N ' ' HG3' ' A' ' 56' ' ' GLU . 5.0 m-20 -90.2 -28.08 19.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.687 ' CD1' ' CE1' ' A' ' 63' ' ' HIS . 10.6 t80 -71.78 -39.23 70.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.418 1.074 . . . . 0.0 110.979 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.434 ' CG ' ' O ' ' A' ' 55' ' ' THR . 2.4 pp20? -79.38 -18.73 51.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.269 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.4 ' HB3' ' O ' ' A' ' 57' ' ' ASN . 12.8 t70 -52.0 -54.44 29.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.453 ' H ' HG12 ' A' ' 61' ' ' VAL . 0.5 OUTLIER -63.83 -19.09 23.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 72.58 78.62 0.5 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.547 1.154 . . . . 0.0 111.025 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.687 ' CE1' ' CD1' ' A' ' 58' ' ' PHE . 58.2 m80 -77.66 135.51 38.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 0.784 . . . . 0.0 109.591 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.48 ' O ' ' HB ' ' A' ' 67' ' ' VAL . 23.5 t -80.39 156.39 26.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.951 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 94.7 m -50.55 -17.46 0.51 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.399 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.429 ' N ' ' C ' ' A' ' 64' ' ' SER . 1.0 OUTLIER -67.09 -9.8 43.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.247 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.647 HG22 ' CHB' ' A' ' 95' ' ' HEM . 0.5 OUTLIER -77.05 -33.87 21.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.306 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 60.6 ttt-85 -54.59 -41.2 69.61 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.513 1.133 . . . . 0.0 110.227 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.409 ' HG2' ' N ' ' A' ' 70' ' ' LEU . 4.2 pt-20 -59.7 -31.33 69.49 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.52 1.138 . . . . 0.0 110.265 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.409 ' N ' ' HG2' ' A' ' 69' ' ' GLU . 2.8 mm? -71.38 -45.95 61.56 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.544 1.153 . . . . 0.0 109.348 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.18 75.92 10.14 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.468 1.105 . . . . 0.0 109.921 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -118.37 -50.82 2.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.343 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.439 HG22 ' CD1' ' A' ' 74' ' ' TYR . 0.5 OUTLIER -99.2 -20.17 16.75 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 110.417 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.439 ' CD1' HG22 ' A' ' 73' ' ' THR . 8.8 m-85 -86.04 40.43 0.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 111.065 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.896 HD11 ' CE2' ' A' ' 30' ' ' TYR . 1.4 mm -110.6 154.26 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 109.301 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.98 HG12 HG13 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -122.88 -42.34 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.583 1.177 . . . . 0.0 109.253 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.743 ' HA3' HG21 ' A' ' 4' ' ' VAL . . . 150.63 -114.51 0.65 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.498 1.124 . . . . 0.0 111.035 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -164.08 119.67 1.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.772 . . . . 0.0 110.274 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.859 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -58.95 162.97 3.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.57 1.169 . . . . 0.0 109.299 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.712 ' HB2' HG22 ' A' ' 8' ' ' THR . 4.7 t-80 -40.15 143.42 0.62 Allowed Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.557 1.16 . . . . 0.0 109.629 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.699 ' HA ' ' CE1' ' A' ' 27' ' ' HIS . 18.2 Cg_endo -75.05 -35.47 3.08 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.601 1.843 . . . . 0.0 111.015 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.596 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 1.1 m-20 -70.56 -38.95 74.21 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.408 ' OD2' HD11 ' A' ' 9' ' ' LEU . 3.0 m-20 -76.62 -20.57 56.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.804 ' HB2' HD11 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -72.13 -31.55 66.1 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.116 . . . . 0.0 110.327 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.11 -5.06 55.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.157 . . . . 0.0 109.987 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.4 -37.07 44.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.595 1.184 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.422 ' O ' ' C ' ' A' ' 88' ' ' ALA . 20.7 mt -69.21 -15.17 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 87' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.253 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' HEM . . . . . 0.647 ' CHB' HG22 ' A' ' 67' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.407 HG11 ' HG2' ' A' ' 78' ' ' GLU . 2.2 t . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.608 ' O ' ' CZ ' ' A' ' 7' ' ' TYR . 0.1 OUTLIER -105.36 136.26 45.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -87.11 93.25 9.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.971 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.608 ' CZ ' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -103.62 129.89 50.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 110.998 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.595 HG22 ' HB2' ' A' ' 80' ' ' HIS . 69.1 p -77.29 158.98 29.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.421 1.075 . . . . 0.0 110.371 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.537 ' CD1' HD23 ' A' ' 79' ' ' LEU . 2.2 mp -41.0 -32.53 0.24 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.514 1.134 . . . . 0.0 109.36 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.404 ' N ' ' C ' ' A' ' 8' ' ' THR . 2.8 tt0 -47.29 -22.92 0.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.407 ' N ' ' C ' ' A' ' 9' ' ' LEU . 9.7 mm-40 -97.29 -56.03 2.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 110.296 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.7 mp -54.06 -38.53 38.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.401 ' OE1' ' HA ' ' A' ' 13' ' ' GLN . 56.3 mm-40 -58.36 -44.28 88.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.3 -9.39 58.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.077 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.654 ' CE1' ' CH2' ' A' ' 22' ' ' TRP . 40.3 m80 -97.51 36.27 1.52 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.619 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.29 44.73 1.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.289 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -118.71 169.96 9.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.95 63.46 6.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 110.012 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -170.22 -41.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.614 1.196 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.509 ' HA ' HG21 ' A' ' 33' ' ' THR . 0.3 OUTLIER -135.04 68.91 1.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.989 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.958 HG21 ' HB3' ' A' ' 47' ' ' ARG . 1.3 m -102.24 116.73 33.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 110.431 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.698 ' O ' HG13 ' A' ' 23' ' ' VAL . 6.8 m0 -108.18 -173.8 2.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 108.063 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.698 HG13 ' O ' ' A' ' 22' ' ' TRP . 2.9 m -160.13 107.36 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.908 HG22 ' O ' ' A' ' 52' ' ' GLY . 1.1 tt -65.16 130.49 30.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.346 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.555 HD12 ' O ' ' A' ' 25' ' ' LEU . 4.0 pp -151.35 118.01 5.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 67.92 35.81 3.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 0.0 109.614 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.559 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 3.1 t-80 68.06 6.82 5.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.584 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.41 ' HD3' ' N ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -120.13 112.93 19.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 109.328 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.942 HG13 HG12 ' A' ' 76' ' ' ILE . 6.2 p -83.83 139.48 17.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.853 ' CE2' HD11 ' A' ' 75' ' ' ILE . 4.9 m-85 -118.69 141.58 48.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.555 1.159 . . . . 0.0 110.982 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.612 ' CB ' HG22 ' A' ' 76' ' ' ILE . 3.2 t0 -99.04 87.55 3.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.255 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.758 HD13 HBB2 ' A' ' 95' ' ' HEM . 0.1 OUTLIER -102.88 32.65 3.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.103 . . . . 0.0 109.248 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.622 HG22 ' O ' ' A' ' 21' ' ' THR . 1.2 p -75.75 -19.21 59.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.404 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.02 -51.69 5.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.614 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -83.07 7.49 15.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 111.014 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.434 HD12 ' O ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -55.93 -40.34 72.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.06 -19.85 39.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 110.292 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -85.32 -6.04 59.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.56 1.162 . . . . 0.0 110.284 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.601 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 26.1 t-80 -85.32 130.26 52.36 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.586 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.601 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.2 Cg_endo -75.01 0.29 9.09 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.513 1.796 . . . . 0.0 111.039 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.582 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -73.31 -80.26 0.45 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.472 1.108 . . . . 0.0 110.998 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.476 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.19 -168.43 35.05 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.427 ' O ' ' CG ' ' A' ' 43' ' ' GLU . 12.6 tt0 -121.83 -11.54 8.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 0.783 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.547 ' O ' ' CG ' ' A' ' 44' ' ' GLU . 5.2 tt0 -119.12 -2.41 10.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.506 HG22 HD23 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -100.09 -29.09 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.328 179.923 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.542 HD21 ' HD1' ' A' ' 39' ' ' HIS . 1.7 mt -76.17 -34.5 59.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.958 ' HB3' HG21 ' A' ' 21' ' ' THR . 5.5 ptm180 -88.38 -24.67 23.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.413 1.071 . . . . 0.0 110.302 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -47.06 -23.79 0.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.21 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.406 ' N ' ' C ' ' A' ' 47' ' ' ARG . 93.9 mm-40 -121.64 33.92 5.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 110.349 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.814 ' HB2' HG23 ' A' ' 21' ' ' THR . . . -88.92 49.46 1.79 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 109.336 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.44 -32.78 0.02 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.571 1.169 . . . . 0.0 111.063 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.908 ' O ' HG22 ' A' ' 24' ' ' ILE . . . -108.02 -137.7 8.34 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.408 ' OD1' ' N ' ' A' ' 53' ' ' ASP . 6.6 p-10 -109.71 119.36 39.15 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 0.761 . . . . 0.0 109.276 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -95.91 -17.46 21.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.485 ' HA ' ' HB3' ' A' ' 58' ' ' PHE . 0.5 OUTLIER -49.65 -35.93 23.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.405 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.63 -47.82 82.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.312 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.467 ' CB ' HBC1 ' A' ' 95' ' ' HEM . 90.2 m-20 -78.46 -35.49 46.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.113 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.569 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 0.7 OUTLIER -65.89 -39.52 90.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 111.038 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.414 ' CD ' ' C ' ' A' ' 59' ' ' GLU . 1.8 pp20? -80.3 -19.98 45.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 110.374 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.17 -56.17 16.66 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.484 1.115 . . . . 0.0 109.353 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.443 HG12 ' O ' ' A' ' 57' ' ' ASN . 0.8 OUTLIER -59.99 -19.58 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.09 . . . . 0.0 109.313 179.93 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.95 78.23 0.3 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.461 1.101 . . . . 0.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.465 ' ND1' ' O ' ' A' ' 58' ' ' PHE . 53.8 m80 -71.44 140.08 49.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 0.771 . . . . 0.0 109.551 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.416 ' O ' ' HB ' ' A' ' 67' ' ' VAL . 0.4 OUTLIER -62.35 159.19 15.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.117 . . . . 0.0 109.966 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 52.0 m -68.57 -7.14 29.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.346 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.779 ' O ' HD23 ' A' ' 70' ' ' LEU . 27.5 m-20 -93.39 7.77 43.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.422 1.076 . . . . 0.0 109.233 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.701 HG22 HMB1 ' A' ' 95' ' ' HEM . 0.4 OUTLIER -89.16 -33.63 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.42 -35.19 67.55 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.438 1.086 . . . . 0.0 110.307 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 66' ' ' ASP . 6.2 pt-20 -82.17 -26.99 32.93 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.105 . . . . 0.0 110.257 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.779 HD23 ' O ' ' A' ' 66' ' ' ASP . 0.9 OUTLIER -52.67 -70.99 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 109.246 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 57.5 p -72.91 59.22 0.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.995 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.37 -45.6 11.74 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.589 1.18 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.7 m -93.69 -10.69 33.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.36 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 18.3 m-30 -90.88 18.26 6.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 111.032 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.853 HD11 ' CE2' ' A' ' 30' ' ' TYR . 1.5 mm -88.48 151.31 3.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.942 HG12 HG13 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -118.66 -43.61 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.339 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 149.59 -116.6 0.8 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.489 1.118 . . . . 0.0 110.961 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.407 ' HG2' HG11 ' A' ' 4' ' ' VAL . 6.6 pt-20 -165.43 119.64 1.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 0.777 . . . . 0.0 110.25 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.9 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -50.06 159.06 0.46 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.595 ' HB2' HG22 ' A' ' 8' ' ' THR . 3.4 t-80 -34.93 140.26 0.3 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.465 1.103 . . . . 0.0 109.562 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 80' ' ' HIS . 18.2 Cg_endo -75.08 -24.01 13.1 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.427 1.751 . . . . 0.0 110.925 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.441 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 0.9 OUTLIER -76.9 -40.48 47.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.095 . . . . 0.0 109.3 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.433 ' HB2' ' CD2' ' A' ' 79' ' ' LEU . 1.2 m-20 -75.2 -26.11 58.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.709 ' HB2' HD11 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -64.75 -32.87 74.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.288 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 10.7 t -84.64 -11.15 56.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.17 . . . . 0.0 110.031 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 6.5 mttp -74.73 -35.28 62.67 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.466 ' O ' ' C ' ' A' ' 88' ' ' ALA . 9.3 mt -62.17 -14.66 12.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.466 ' C ' ' O ' ' A' ' 87' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.358 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' HEM . . . . . 0.758 HBB2 HD13 ' A' ' 32' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.763 HG21 ' CA ' ' A' ' 77' ' ' GLY . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.635 ' O ' ' CE2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -87.8 131.16 34.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.295 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -86.6 86.91 7.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 111.029 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.635 ' CE2' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -94.78 129.81 41.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.978 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.476 ' HB ' ' OD2' ' A' ' 83' ' ' ASP . 39.7 p -75.57 156.33 35.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.411 1.07 . . . . 0.0 110.443 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.614 HD11 ' OD1' ' A' ' 83' ' ' ASP . 0.2 OUTLIER -43.4 -26.24 0.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.432 1.082 . . . . 0.0 109.278 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.439 ' H ' HD12 ' A' ' 9' ' ' LEU . 3.8 tt0 -47.09 -29.76 2.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.434 ' O ' ' ND1' ' A' ' 15' ' ' HIS . 14.1 mm-40 -96.34 -53.95 3.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.274 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.544 HD12 ' H ' ' A' ' 12' ' ' ILE . 4.3 mp -53.48 -39.12 35.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -68.36 -36.51 79.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 110.273 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -75.04 -9.57 58.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.615 ' ND1' ' CH2' ' A' ' 22' ' ' TRP . 40.4 m80 -100.92 55.23 0.85 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.587 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -110.09 54.98 0.65 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -138.24 151.63 47.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 48.8 p -51.96 -31.65 30.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.002 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.467 ' O ' HG21 ' A' ' 33' ' ' THR . 3.9 ptmt -71.1 -38.61 72.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.603 1.189 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.2 102.52 4.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.569 1.168 . . . . 0.0 109.967 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.848 HG23 ' CB ' ' A' ' 50' ' ' ALA . 2.3 m -139.99 117.67 11.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.414 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.615 ' CH2' ' ND1' ' A' ' 15' ' ' HIS . 0.8 OUTLIER -124.68 178.48 5.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 107.909 -179.933 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.767 ' HB ' ' HB3' ' A' ' 54' ' ' ALA . 6.2 m -153.64 111.02 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.614 1.196 . . . . 0.0 109.267 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.717 HG22 ' HB ' ' A' ' 29' ' ' VAL . 1.4 pp -63.38 102.89 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.608 HD23 HG23 ' A' ' 23' ' ' VAL . 2.8 pp -133.19 132.36 41.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.474 1.109 . . . . 0.0 109.407 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.602 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 0.1 OUTLIER 70.09 29.51 3.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.585 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.602 ' CD2' ' O ' ' A' ' 26' ' ' HIS . 0.0 OUTLIER 70.19 6.14 5.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.586 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.539 ' HD2' ' CD2' ' A' ' 27' ' ' HIS . 0.1 OUTLIER -134.34 122.86 23.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.89 HG13 HG12 ' A' ' 76' ' ' ILE . 2.5 p -80.3 144.68 10.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.091 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.969 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 4.7 m-85 -119.41 133.81 55.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.949 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.577 ' CB ' HG22 ' A' ' 76' ' ' ILE . 8.3 t0 -91.97 80.34 5.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.339 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.559 HD21 HG22 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -88.93 14.81 9.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.467 HG21 ' O ' ' A' ' 19' ' ' LYS . 0.5 OUTLIER -64.71 -16.26 62.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.34 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -90.14 -51.6 5.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.113 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.62 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -87.42 11.62 14.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 111.042 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.452 ' CD1' ' HA ' ' A' ' 33' ' ' THR . 0.1 OUTLIER -61.88 -33.06 73.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -84.66 -20.74 30.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -85.21 -25.96 27.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 110.258 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.593 ' HB2' ' CZ ' ' A' ' 35' ' ' PHE . 38.1 t-80 -64.04 133.39 95.58 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.582 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.575 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.3 Cg_endo -74.96 -14.51 21.22 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.45 1.763 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.579 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -58.14 -78.75 0.12 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.454 1.096 . . . . 0.0 110.988 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.477 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.05 -163.78 28.03 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.435 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 13.5 tt0 -121.17 -15.07 8.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 0.762 . . . . 0.0 110.275 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.532 ' HA ' ' CG ' ' A' ' 47' ' ' ARG . 3.3 pm0 -115.51 -27.55 7.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 110.247 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.477 ' CG1' ' HA3' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -71.2 -30.7 41.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.487 HD21 ' HD1' ' A' ' 39' ' ' HIS . 3.8 mt -73.12 -44.01 60.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.827 ' HB3' HG21 ' A' ' 21' ' ' THR . 7.8 ptm180 -82.32 -21.34 36.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 44' ' ' GLU . 0.6 OUTLIER -45.0 -29.48 0.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.24 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.721 ' O ' HG12 ' A' ' 23' ' ' VAL . 39.4 mm-40 -118.73 37.22 4.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.848 ' CB ' HG23 ' A' ' 21' ' ' THR . . . -99.1 68.54 1.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.17 -39.36 0.03 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.405 ' O ' ' CG1' ' A' ' 24' ' ' ILE . . . -117.85 -124.43 3.43 Favored Glycine 0 CA--C 1.531 1.061 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -109.88 115.87 30.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.573 0.808 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.767 ' HB3' ' HB ' ' A' ' 23' ' ' VAL . . . -96.28 -15.37 21.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.47 ' O ' ' CG ' ' A' ' 59' ' ' GLU . 0.8 OUTLIER -49.71 -24.43 2.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.439 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -79.26 -40.81 29.62 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.517 1.136 . . . . 0.0 110.315 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -85.52 -28.21 25.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.731 ' CE1' ' C4B' ' A' ' 95' ' ' HEM . 9.8 t80 -73.16 -39.68 65.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.419 1.074 . . . . 0.0 110.971 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.47 ' CG ' ' O ' ' A' ' 55' ' ' THR . 2.4 pp20? -79.41 -15.64 57.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.337 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -54.01 -51.79 62.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.264 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.451 ' H ' HG12 ' A' ' 61' ' ' VAL . 0.6 OUTLIER -69.0 -16.18 20.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.14 79.29 0.23 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.453 1.096 . . . . 0.0 110.929 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.689 ' CE1' ' CD1' ' A' ' 58' ' ' PHE . 64.7 m80 -74.74 140.08 43.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 0.755 . . . . 0.0 109.535 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.406 ' O ' ' HB ' ' A' ' 67' ' ' VAL . 3.7 m -71.83 170.11 14.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.017 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.5 t -65.19 -8.31 16.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.589 1.181 . . . . 0.0 110.438 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.402 ' O ' HD23 ' A' ' 70' ' ' LEU . 69.2 m-20 -77.64 -13.23 59.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.564 HG21 ' CD2' ' A' ' 63' ' ' HIS . 0.8 OUTLIER -74.22 -37.37 45.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.561 1.163 . . . . 0.0 109.3 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.9 ttp85 -64.34 -28.62 69.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 66' ' ' ASP . 11.4 pt-20 -97.56 14.28 27.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.402 HD23 ' O ' ' A' ' 66' ' ' ASP . 0.2 OUTLIER -91.33 -66.43 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.252 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.35 84.66 7.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.962 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.92 -56.02 3.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.9 m -85.36 -28.4 25.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 110.352 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.424 ' O ' ' C ' ' A' ' 75' ' ' ILE . 22.3 m-30 -62.45 -38.39 89.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.969 HD11 ' CZ ' ' A' ' 30' ' ' TYR . 1.0 OUTLIER -37.84 140.23 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.89 HG12 HG13 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -102.93 -47.73 10.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.241 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.763 ' CA ' HG21 ' A' ' 4' ' ' VAL . . . 159.31 -111.46 0.48 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.493 1.12 . . . . 0.0 111.005 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -169.11 119.4 0.71 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 0.769 . . . . 0.0 110.297 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.988 HD11 ' HB3' ' A' ' 84' ' ' ARG . 0.0 OUTLIER -59.69 158.59 9.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 109.264 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.472 ' CG ' ' HD2' ' A' ' 81' ' ' PRO . 4.8 t-80 -37.03 141.77 0.39 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.616 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.587 ' O ' ' HG3' ' A' ' 84' ' ' ARG . 18.2 Cg_endo -74.9 -26.8 10.79 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.502 1.791 . . . . 0.0 110.98 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.452 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 0.6 OUTLIER -80.68 -18.84 46.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.344 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.614 ' OD1' HD11 ' A' ' 9' ' ' LEU . 1.8 m-20 -86.53 -43.5 12.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.356 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.988 ' HB3' HD11 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -59.66 -28.52 67.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.291 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.44 ' N ' ' HD3' ' A' ' 84' ' ' ARG . 46.8 t -86.51 -11.65 51.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 110.021 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -79.72 -31.68 41.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.483 ' HA ' HD13 ' A' ' 87' ' ' ILE . 5.5 mm -70.66 -5.86 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.98 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 95' ' ' HEM . . . . . 0.731 ' C4B' ' CE1' ' A' ' 58' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.63 HG21 ' CA ' ' A' ' 77' ' ' GLY . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.617 ' O ' ' CE1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -84.83 141.1 30.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.416 1.073 . . . . 0.0 109.246 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -94.89 92.76 7.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.972 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.617 ' CE1' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -96.95 129.97 44.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.592 HG22 ' HB2' ' A' ' 80' ' ' HIS . 34.4 p -79.72 156.05 27.71 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.539 1.15 . . . . 0.0 110.379 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.526 ' N ' HD12 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -35.13 -36.93 0.06 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.488 1.117 . . . . 0.0 109.35 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 8' ' ' THR . 2.5 tt0 -38.9 -29.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.4 1.062 . . . . 0.0 110.311 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 9' ' ' LEU . 9.8 mm-40 -99.57 -49.7 4.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 110.267 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.537 HD12 ' CZ3' ' A' ' 22' ' ' TRP . 1.3 mp -54.23 -38.02 37.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -76.06 -25.93 56.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.403 1.064 . . . . 0.0 110.349 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.1 -10.5 59.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.133 . . . . 0.0 109.349 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.68 ' ND1' ' CZ2' ' A' ' 22' ' ' TRP . 13.3 m-70 -113.0 58.68 0.65 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.631 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -110.06 62.07 0.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -158.64 161.86 37.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.254 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 91.5 p -52.07 -47.43 65.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.396 1.06 . . . . 0.0 109.939 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.0 -63.62 0.89 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.254 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.5 104.45 7.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.954 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.526 HG23 ' HB2' ' A' ' 50' ' ' ALA . 0.6 OUTLIER -136.52 124.65 23.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.367 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.68 ' CZ2' ' ND1' ' A' ' 15' ' ' HIS . 0.8 OUTLIER -124.54 178.54 5.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 108.01 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.668 HG22 HD21 ' A' ' 32' ' ' LEU . 18.8 m -154.56 110.64 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.085 . . . . 0.0 109.322 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.594 HG22 ' HB ' ' A' ' 29' ' ' VAL . 1.1 pp -60.83 130.67 25.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.53 1.144 . . . . 0.0 109.364 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.452 HD12 ' HB2' ' A' ' 26' ' ' HIS . 2.3 pp -165.7 130.15 2.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.452 ' HB2' HD12 ' A' ' 25' ' ' LEU . 0.5 OUTLIER 70.18 19.01 6.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.624 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 19.3 t60 69.84 36.99 1.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 109.562 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.624 ' O ' ' CD1' ' A' ' 30' ' ' TYR . 0.2 OUTLIER -164.06 94.57 0.75 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.446 1.091 . . . . 0.0 109.334 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.928 HG13 HG12 ' A' ' 76' ' ' ILE . 2.7 p -58.68 146.93 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 1.174 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 19.9 m-85 -118.91 136.16 54.2 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.525 1.141 . . . . 0.0 111.063 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.615 ' CB ' HG22 ' A' ' 76' ' ' ILE . 6.3 t0 -91.6 78.55 5.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.668 HD21 HG22 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -86.16 15.4 5.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.405 ' HA ' HD12 ' A' ' 36' ' ' LEU . 0.6 OUTLIER -64.02 -19.9 65.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 0.0 110.31 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.0 tptp -90.39 -54.93 3.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.602 ' CZ ' ' HB2' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -81.79 8.93 8.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 111.046 179.912 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.949 ' HG ' HD12 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -51.4 -35.49 39.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -85.15 -22.74 28.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.236 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -83.29 -2.76 56.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.443 1.089 . . . . 0.0 110.246 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.71 ' ND1' HD21 ' A' ' 46' ' ' LEU . 30.0 t-80 -88.07 132.3 40.23 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.575 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.63 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.4 Cg_endo -75.0 -10.23 21.12 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.494 1.786 . . . . 0.0 111.015 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.6 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -65.33 -81.14 0.13 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.47 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.13 -163.96 28.37 Favored Glycine 0 CA--C 1.531 1.066 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -115.57 -17.36 11.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 0.803 . . . . 0.0 110.305 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.568 ' O ' ' N ' ' A' ' 48' ' ' GLU . 1.3 pm0 -109.6 -32.38 7.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.314 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.503 ' O ' ' HB3' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -56.85 -40.55 72.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.949 HD12 ' HG ' ' A' ' 36' ' ' LEU . 6.2 mt -64.89 -63.12 1.19 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.56 1.162 . . . . 0.0 109.223 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.535 ' CG ' ' HA ' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -61.85 -22.74 65.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.237 -179.933 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.568 ' N ' ' O ' ' A' ' 44' ' ' GLU . 1.2 tt0 -54.41 -32.92 58.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.286 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 67.0 mm-40 -114.46 18.69 16.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.36 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.526 ' HB2' HG23 ' A' ' 21' ' ' THR . . . -86.87 68.98 10.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.16 -37.63 0.03 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.457 1.098 . . . . 0.0 111.017 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -121.55 -125.63 3.18 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.418 ' HA ' HG13 ' A' ' 24' ' ' ILE . 8.7 p-10 -109.86 118.2 35.85 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.498 0.764 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.565 ' HB3' ' HB ' ' A' ' 23' ' ' VAL . . . -100.15 -14.04 18.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 109.345 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.491 ' HA ' ' HB3' ' A' ' 58' ' ' PHE . 0.7 OUTLIER -49.86 -35.56 23.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 110.36 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.11 -47.27 80.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.404 ' HB3' HBC1 ' A' ' 95' ' ' HEM . 12.2 m120 -79.81 -30.9 40.63 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.429 1.081 . . . . 0.0 109.237 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.561 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 0.7 OUTLIER -70.44 -39.8 74.13 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.475 1.109 . . . . 0.0 110.981 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.426 ' CD ' ' C ' ' A' ' 59' ' ' GLU . 2.2 pp20? -78.03 -20.77 51.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -59.42 -55.42 34.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.446 1.091 . . . . 0.0 109.283 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -62.76 -19.54 23.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 69.42 78.61 0.34 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.505 1.128 . . . . 0.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.468 ' ND1' ' O ' ' A' ' 58' ' ' PHE . 56.0 m80 -71.02 140.16 50.71 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.464 0.743 . . . . 0.0 109.592 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 21.6 m -62.71 167.74 4.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.578 1.174 . . . . 0.0 109.973 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.1 t -75.67 -9.77 58.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.412 1.07 . . . . 0.0 110.403 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.426 ' O ' HD23 ' A' ' 70' ' ' LEU . 45.8 m-20 -88.14 -1.33 57.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.549 HG22 ' CHB' ' A' ' 95' ' ' HEM . 1.1 t -82.65 -38.92 15.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.22 -19.48 65.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.327 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -98.78 -24.29 15.07 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.458 1.099 . . . . 0.0 110.351 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.426 HD23 ' O ' ' A' ' 66' ' ' ASP . 0.3 OUTLIER -55.12 -66.6 0.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 39.1 m -79.1 69.85 5.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.959 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.5 mtpt -86.06 -48.79 8.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.7 m -84.45 -32.15 24.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 110.377 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.44 ' O ' ' C ' ' A' ' 75' ' ' ILE . 17.3 m-85 -60.63 -39.53 88.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 111.019 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 1.174 HD11 ' CZ ' ' A' ' 30' ' ' TYR . 0.8 OUTLIER -35.78 139.87 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.337 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.928 HG12 HG13 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -102.58 -44.28 9.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.63 ' CA ' HG21 ' A' ' 4' ' ' VAL . . . 157.14 -110.77 0.46 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.49 1.119 . . . . 0.0 110.956 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.404 ' HG2' HG11 ' A' ' 4' ' ' VAL . 8.8 pt-20 -170.16 119.48 0.6 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.42 0.718 . . . . 0.0 110.31 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.965 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -59.08 157.66 9.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.353 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.592 ' HB2' HG22 ' A' ' 8' ' ' THR . 4.4 t-80 -36.45 139.09 0.46 Allowed Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.502 1.126 . . . . 0.0 109.625 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 80' ' ' HIS . 18.3 Cg_endo -75.01 -29.64 8.0 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.493 1.786 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.427 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 0.4 OUTLIER -74.48 -31.88 62.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.423 ' OD2' HD11 ' A' ' 9' ' ' LEU . 3.4 m-20 -86.74 -17.73 32.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.775 ' HB2' HD11 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -69.81 -30.26 67.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.366 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.1 t -90.49 -11.45 40.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.977 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 28.1 mttp -84.34 -28.83 26.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 45.9 mt -61.27 -13.85 9.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 -179.986 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 95' ' ' HEM . . . . . 0.549 ' CHB' HG22 ' A' ' 67' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.431 HG11 ' HG2' ' A' ' 78' ' ' GLU . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.631 ' O ' ' CZ ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -93.7 122.62 36.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.536 ' HB3' ' CD2' ' A' ' 80' ' ' HIS . 64.0 m-85 -85.63 98.79 10.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.969 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.631 ' CZ ' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -104.89 128.74 53.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.411 1.069 . . . . 0.0 111.019 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.495 ' HA ' HD23 ' A' ' 79' ' ' LEU . 44.0 p -76.34 165.33 25.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.409 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.421 ' H ' ' CD1' ' A' ' 9' ' ' LEU . 6.8 mp -42.31 -32.86 0.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.32 -21.86 1.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -98.41 -56.32 2.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.103 . . . . 0.0 110.302 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.499 ' CD1' ' HB2' ' A' ' 79' ' ' LEU . 2.7 mp -55.45 -35.64 38.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 109.286 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.411 ' OE1' ' CA ' ' A' ' 51' ' ' GLY . 11.0 mm100 -55.51 -37.02 67.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.137 . . . . 0.0 110.386 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -75.04 -15.06 60.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.621 ' CE1' ' CH2' ' A' ' 22' ' ' TRP . 39.5 m80 -104.26 49.18 0.82 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 109.563 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.16 49.84 0.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -148.9 166.53 28.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.7 p -52.53 -46.64 66.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.032 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -43.86 -57.61 3.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.416 1.073 . . . . 0.0 109.25 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 15' ' ' HIS . 0.1 OUTLIER -139.47 102.69 4.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.09 . . . . 0.0 110.041 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -125.35 121.28 33.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 110.43 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.621 ' CH2' ' CE1' ' A' ' 15' ' ' HIS . 2.1 m0 -122.23 179.54 4.52 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 1.065 HG22 HD21 ' A' ' 32' ' ' LEU . 30.7 m -156.63 107.2 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.407 1.067 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.614 HG22 ' O ' ' A' ' 52' ' ' GLY . 0.2 OUTLIER -63.79 107.54 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.536 HD23 HG23 ' A' ' 23' ' ' VAL . 4.3 pp -131.59 140.89 49.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.158 . . . . 0.0 109.203 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 53.78 35.33 21.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.586 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.4 ' C ' ' HG3' ' A' ' 28' ' ' LYS . 19.4 m-70 66.66 10.48 7.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.615 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.435 ' O ' ' O ' ' A' ' 25' ' ' LEU . 24.2 mtpt -131.48 116.49 17.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.945 HG13 HG12 ' A' ' 76' ' ' ILE . 4.1 p -82.32 141.44 15.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.412 1.07 . . . . 0.0 109.259 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 1.07 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 4.2 m-85 -119.6 137.62 53.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.467 ' N ' ' CG2' ' A' ' 76' ' ' ILE . 9.0 t70 -92.47 81.03 4.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.358 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 1.065 HD21 HG22 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -86.13 20.08 2.44 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.3 -22.64 63.78 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 0.0 110.336 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.9 tptt -89.93 -51.65 5.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.632 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -83.14 10.09 9.02 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.433 1.083 . . . . 0.0 111.044 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.963 ' HG ' HD12 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -54.84 -43.68 73.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.137 . . . . 0.0 109.305 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.84 -23.2 49.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.3 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -81.74 -5.49 58.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 110.27 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.776 ' HD1' HD21 ' A' ' 46' ' ' LEU . 24.4 t-80 -88.02 130.84 44.88 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 109.512 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.619 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.2 Cg_endo -75.06 -7.14 18.84 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.499 1.789 . . . . 0.0 111.015 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.579 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -66.06 -82.71 0.11 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.45 1.094 . . . . 0.0 111.007 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.507 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.21 -164.41 29.15 Favored Glycine 0 CA--C 1.529 0.952 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.45 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 20.2 tt0 -119.71 -21.29 7.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 0.785 . . . . 0.0 110.26 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -109.94 6.65 23.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.258 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.581 HG22 HD23 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -100.24 -44.05 11.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.345 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.963 HD12 ' HG ' ' A' ' 36' ' ' LEU . 6.5 mt -60.73 -57.22 13.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.1 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.671 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -64.6 -27.31 68.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.394 1.059 . . . . 0.0 110.314 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -45.29 -29.5 1.03 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.127 . . . . 0.0 110.336 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -120.22 30.22 7.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 110.36 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.671 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -86.98 59.99 5.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.166 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.411 ' CA ' ' OE1' ' A' ' 13' ' ' GLN . . . -169.85 -37.14 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.485 1.116 . . . . 0.0 110.924 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.614 ' O ' HG22 ' A' ' 24' ' ' ILE . . . -110.48 -137.68 7.63 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.459 ' HB2' HG22 ' A' ' 55' ' ' THR . 8.3 p-10 -109.69 116.06 31.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 0.77 . . . . 0.0 109.346 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.522 ' HB3' ' HB ' ' A' ' 23' ' ' VAL . . . -90.58 -15.12 31.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.459 HG22 ' HB2' ' A' ' 53' ' ' ASP . 0.5 OUTLIER -49.72 -27.4 4.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.43 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.57 -43.33 63.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.464 ' HB3' ' CBC' ' A' ' 95' ' ' HEM . 4.7 m120 -82.79 -32.35 27.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.531 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 1.6 t80 -69.07 -39.77 78.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 111.002 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.434 ' CG ' ' O ' ' A' ' 55' ' ' THR . 1.9 pp20? -78.57 -19.38 52.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.083 . . . . 0.0 110.303 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -64.79 -55.68 18.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.474 HG21 ' C3D' ' A' ' 95' ' ' HEM . 0.9 OUTLIER -61.69 -20.19 22.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.254 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.04 80.65 0.18 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.484 1.115 . . . . 0.0 110.931 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.686 ' HB3' HG21 ' A' ' 67' ' ' VAL . 70.2 m80 -70.3 135.18 48.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 0.77 . . . . 0.0 109.573 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.41 ' O ' ' HB ' ' A' ' 67' ' ' VAL . 0.2 OUTLIER -54.58 170.27 0.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.005 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.8 m -70.74 -25.86 63.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.334 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.33 -9.9 57.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.354 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.686 HG21 ' HB3' ' A' ' 63' ' ' HIS . 0.3 OUTLIER -70.58 -30.67 43.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -62.89 -36.0 81.87 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.527 1.142 . . . . 0.0 110.236 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -99.09 29.17 4.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 110.32 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.443 ' HB3' ' CMB' ' A' ' 95' ' ' HEM . 0.2 OUTLIER -97.24 -66.87 0.87 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.339 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 15.0 m -85.75 66.73 9.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.002 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.29 -51.58 11.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.9 m -87.45 -42.95 12.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 110.368 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.503 ' CE2' ' CB ' ' A' ' 35' ' ' PHE . 21.0 m-30 -44.69 -36.79 3.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 111.012 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 1.07 HD11 ' CZ ' ' A' ' 30' ' ' TYR . 1.1 mm -39.2 140.94 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.607 1.192 . . . . 0.0 109.254 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.945 HG12 HG13 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -105.87 -45.38 8.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 151.16 -119.87 1.04 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.525 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 1.6 pt-20 -147.64 121.22 9.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 0.794 . . . . 0.0 110.363 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.966 HD13 ' H ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -42.88 -46.37 5.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 109.32 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.966 ' H ' HD13 ' A' ' 79' ' ' LEU . 4.8 t-80 172.32 145.38 0.16 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.61 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.555 ' HD2' ' CG ' ' A' ' 80' ' ' HIS . 18.3 Cg_endo -75.05 -28.29 9.21 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.492 1.785 . . . . 0.0 110.971 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.09 -61.55 1.95 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.519 ' HB2' HD21 ' A' ' 79' ' ' LEU . 1.0 OUTLIER -59.87 -18.26 43.02 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.567 1.167 . . . . 0.0 109.3 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.507 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -63.85 -33.7 76.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 0.0 110.259 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.475 ' N ' ' HD3' ' A' ' 84' ' ' ARG . 28.4 t -92.44 -9.98 39.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 110.031 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -73.94 -43.27 58.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.574 1.171 . . . . 0.0 109.29 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.406 ' O ' ' C ' ' A' ' 88' ' ' ALA . 4.1 mm -67.17 -18.12 23.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 87' ' ' ILE . . . . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.097 . . . . 0.0 109.287 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' HEM . . . . . 0.836 ' CBB' HD22 ' A' ' 32' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.637 HG21 ' CA ' ' A' ' 77' ' ' GLY . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.499 ' HB3' ' CE2' ' A' ' 7' ' ' TYR . 1.8 tttt -84.7 136.76 33.59 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.494 1.121 . . . . 0.0 109.254 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -94.19 93.83 8.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 110.975 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.566 ' CG ' ' OE2' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -102.35 129.97 48.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 110.965 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.776 HG22 ' CB ' ' A' ' 80' ' ' HIS . 35.8 p -80.66 162.35 24.23 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 1.091 . . . . 0.0 110.392 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.874 HD21 HD11 ' A' ' 87' ' ' ILE . 1.0 OUTLIER -35.19 -43.01 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.342 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 9' ' ' LEU . 4.6 tt0 -37.3 -29.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.366 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.566 ' OE2' ' CG ' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -95.17 -53.45 3.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.341 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.843 HD11 ' HB3' ' A' ' 79' ' ' LEU . 28.1 mt -52.54 -34.49 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.326 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.558 ' CG ' ' O ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -81.96 -25.11 35.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.265 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.21 -13.19 60.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.471 ' ND1' ' CZ2' ' A' ' 22' ' ' TRP . 6.6 m170 -119.29 57.65 0.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.525 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.405 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 4.0 ttpp -109.76 66.54 0.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.457 ' H ' ' HG1' ' A' ' 21' ' ' THR . 0.8 OUTLIER -160.08 153.51 22.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.436 ' O ' ' OG1' ' A' ' 33' ' ' THR . 0.3 OUTLIER -40.77 -54.48 2.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.1 . . . . 0.0 110.006 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 18' ' ' SER . 0.7 OUTLIER -39.62 -61.59 0.8 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.79 107.76 7.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 0.0 109.981 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.795 HG21 ' HB3' ' A' ' 47' ' ' ARG . 1.5 m -139.77 129.81 24.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.381 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.659 ' O ' HG13 ' A' ' 23' ' ' VAL . 0.3 OUTLIER -129.13 -173.41 2.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 108.018 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.659 HG13 ' O ' ' A' ' 22' ' ' TRP . 18.9 m -159.73 117.28 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.767 HD13 ' C ' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -74.6 112.49 11.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.414 1.072 . . . . 0.0 109.247 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.532 HD12 ' O ' ' A' ' 25' ' ' LEU . 3.8 pp -126.69 119.37 26.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.084 . . . . 0.0 109.272 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 62.95 38.09 11.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.564 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.537 ' CG ' ' HG3' ' A' ' 84' ' ' ARG . 3.4 m-70 67.38 22.16 9.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.55 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.3 mmtt -135.68 108.39 7.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 109.285 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.97 HG13 HG12 ' A' ' 76' ' ' ILE . 4.1 p -84.55 141.35 14.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 1.101 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 8.1 m-85 -124.91 132.26 53.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 111.023 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.517 ' OD1' HG22 ' A' ' 33' ' ' THR . 5.3 t0 -90.23 82.04 6.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.343 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.543 HD23 ' O ' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -90.41 24.17 2.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.17 . . . . 0.0 109.321 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.517 HG22 ' OD1' ' A' ' 31' ' ' ASP . 1.2 t -69.64 -18.79 63.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.431 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.6 tptm -90.14 -54.58 3.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.269 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.591 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -81.37 10.1 6.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 0.0 111.002 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.982 ' HG ' HD12 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -56.41 -41.8 76.92 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.44 1.087 . . . . 0.0 109.266 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.04 -28.27 54.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -81.52 -0.93 44.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.766 ' ND1' HD21 ' A' ' 46' ' ' LEU . 28.7 t-80 -89.65 132.16 37.68 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.668 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.624 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.2 Cg_endo -74.97 -18.39 18.85 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.489 1.784 . . . . 0.0 111.052 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.604 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -56.78 -81.9 0.06 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.462 1.101 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.18 -162.48 25.95 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.405 ' O ' ' CG ' ' A' ' 43' ' ' GLU . 10.3 tt0 -119.14 -13.44 9.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.775 . . . . 0.0 110.319 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.547 ' HA ' ' CG ' ' A' ' 47' ' ' ARG . 1.1 pm0 -113.05 -27.21 8.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.588 1.18 . . . . 0.0 110.309 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.416 ' O ' ' HB2' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -63.52 -45.18 98.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 109.333 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.982 HD12 ' HG ' ' A' ' 36' ' ' LEU . 4.3 mt -60.14 -59.26 5.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.342 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.795 ' HB3' HG21 ' A' ' 21' ' ' THR . 7.2 ptm180 -64.16 -25.23 67.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.268 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 44' ' ' GLU . 0.7 OUTLIER -46.12 -30.01 1.75 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.285 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.545 ' CB ' ' HB2' ' A' ' 54' ' ' ALA . 16.1 mm100 -116.21 31.21 6.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.312 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.726 ' HB2' HG23 ' A' ' 21' ' ' THR . . . -88.94 53.19 2.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.351 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.05 -34.51 0.02 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.528 ' O ' HG22 ' A' ' 24' ' ' ILE . . . -114.98 -133.04 5.39 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -109.67 121.41 45.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 0.782 . . . . 0.0 109.334 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.545 ' HB2' ' CB ' ' A' ' 49' ' ' GLN . . . -96.41 -16.34 21.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.443 ' HB ' ' HA ' ' A' ' 25' ' ' LEU . 0.5 OUTLIER -49.52 -29.96 7.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.365 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.14 -44.91 67.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.565 1.166 . . . . 0.0 110.29 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.402 ' O ' ' HB3' ' A' ' 60' ' ' ASP . 2.6 m120 -81.04 -32.19 34.2 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.545 ' CE1' ' HB2' ' A' ' 63' ' ' HIS . 1.5 t80 -69.87 -40.01 75.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 110.967 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.411 ' CG ' ' O ' ' A' ' 55' ' ' THR . 2.1 pp20? -78.2 -19.81 53.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.414 1.071 . . . . 0.0 110.276 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.402 ' HB3' ' O ' ' A' ' 57' ' ' ASN . 1.6 t70 -61.08 -53.78 52.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.367 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -67.68 -16.22 20.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 65.51 80.88 0.14 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.492 1.12 . . . . 0.0 111.033 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.545 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 64.7 m80 -74.46 139.96 44.28 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 0.781 . . . . 0.0 109.588 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.405 ' O ' ' HB ' ' A' ' 67' ' ' VAL . 53.4 m -64.4 168.86 5.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.025 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.2 t -74.7 -11.26 60.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.427 1.079 . . . . 0.0 110.432 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.713 ' O ' HD23 ' A' ' 70' ' ' LEU . 1.8 p-10 -86.26 -2.43 58.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.336 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.587 HG22 ' HHB' ' A' ' 95' ' ' HEM . 1.2 t -84.04 -38.27 13.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -63.28 -26.87 68.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 110.346 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -91.44 -34.62 14.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.372 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.713 HD23 ' O ' ' A' ' 66' ' ' ASP . 0.5 OUTLIER -48.4 -56.91 6.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.254 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 80.0 p -81.65 72.46 8.69 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.48 1.113 . . . . 0.0 109.99 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.95 -51.92 5.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 109.247 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.3 m -80.59 -37.7 30.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.393 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -56.17 -34.8 66.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 111.019 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 1.101 HD11 ' CZ ' ' A' ' 30' ' ' TYR . 1.0 OUTLIER -42.61 140.65 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.97 HG12 HG13 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -104.67 -45.85 9.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.273 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.637 ' CA ' HG21 ' A' ' 4' ' ' VAL . . . 157.21 -111.0 0.47 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.453 1.095 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -169.01 119.68 0.73 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.531 0.783 . . . . 0.0 110.257 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.897 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -53.21 159.16 1.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.269 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.776 ' CB ' HG22 ' A' ' 8' ' ' THR . 2.2 t-80 -35.26 141.27 0.29 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.414 1.071 . . . . 0.0 109.577 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 80' ' ' HIS . 18.1 Cg_endo -75.0 -27.13 10.27 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.578 1.83 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -71.72 -48.15 49.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.411 ' CG ' ' HB ' ' A' ' 8' ' ' THR . 1.1 m-20 -65.6 -29.86 70.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.102 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.537 ' HG3' ' CG ' ' A' ' 27' ' ' HIS . 0.0 OUTLIER -60.54 -38.2 83.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.281 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 29.3 t -72.7 -12.72 61.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.075 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -93.43 -21.43 19.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.335 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.874 HD11 HD21 ' A' ' 9' ' ' LEU . 20.2 mm -67.48 -7.41 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 109.232 -179.946 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 95' ' ' HEM . . . . . 0.631 ' CMC' HBC2 ' A' ' 95' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.661 HG21 ' HA3' ' A' ' 77' ' ' GLY . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.682 ' HG2' ' CE2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -93.51 136.25 33.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -79.8 104.49 10.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 111.046 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.682 ' CE2' ' HG2' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -106.92 129.79 54.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.957 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.771 HG22 ' HB2' ' A' ' 80' ' ' HIS . 39.2 p -82.17 156.9 24.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 110.449 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.484 HD21 HD11 ' A' ' 87' ' ' ILE . 1.6 mp -35.15 -38.17 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.425 1.078 . . . . 0.0 109.346 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 8' ' ' THR . 7.8 tt0 -39.03 -29.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 110.277 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 9' ' ' LEU . 4.5 mm-40 -95.23 -54.64 3.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.269 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.423 HD11 ' HB3' ' A' ' 79' ' ' LEU . 73.8 mt -49.93 -40.07 16.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.536 1.147 . . . . 0.0 109.267 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.418 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 7.9 mm-40 -59.37 -39.69 84.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 110.318 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.8 -5.84 40.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.561 1.163 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.43 ' O ' ' O ' ' A' ' 20' ' ' SER . 22.7 m80 -114.67 48.0 1.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 0.0 109.563 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.23 65.37 0.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.44 ' H ' ' HG1' ' A' ' 21' ' ' THR . 1.3 t0 -159.8 153.49 22.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.337 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.403 ' O ' ' OG1' ' A' ' 33' ' ' THR . 66.7 p -42.09 -50.45 4.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.991 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.52 -61.17 1.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.43 ' O ' ' O ' ' A' ' 15' ' ' HIS . 0.2 OUTLIER -133.5 102.59 5.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.041 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.834 HG23 ' HB2' ' A' ' 50' ' ' ALA . 1.3 m -132.29 117.07 17.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 110.427 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.705 ' O ' HG13 ' A' ' 23' ' ' VAL . 1.5 m0 -116.82 -173.81 2.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 108.039 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.834 HG22 HD21 ' A' ' 32' ' ' LEU . 3.2 m -160.04 111.06 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.241 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.522 ' CG2' ' O ' ' A' ' 52' ' ' GLY . 0.0 OUTLIER -66.14 111.69 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 109.368 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.566 HD12 ' HB2' ' A' ' 26' ' ' HIS . 0.6 OUTLIER -143.24 150.89 39.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.566 ' HB2' HD12 ' A' ' 25' ' ' LEU . 9.0 m170 52.98 29.41 7.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.644 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.576 ' CG ' ' O ' ' A' ' 27' ' ' HIS . 0.2 OUTLIER 70.15 6.62 5.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.587 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.555 ' O ' ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -135.3 119.65 17.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.142 . . . . 0.0 109.311 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.891 HG13 HG12 ' A' ' 76' ' ' ILE . 2.7 p -79.55 144.27 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.977 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 4.3 m-85 -120.91 139.72 52.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 111.028 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.638 ' CB ' HG22 ' A' ' 76' ' ' ILE . 7.3 t70 -96.06 79.94 3.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.137 . . . . 0.0 109.354 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.834 HD21 HG22 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -89.68 26.04 1.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.45 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 0.6 OUTLIER -72.05 -20.92 61.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.102 . . . . 0.0 110.431 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.77 -53.58 4.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.416 1.073 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.655 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -82.81 10.62 7.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 111.032 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.45 ' CD1' ' HA ' ' A' ' 33' ' ' THR . 0.2 OUTLIER -57.08 -39.14 74.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.83 -20.44 39.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.297 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -85.67 -2.28 58.03 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 110.318 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.604 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 26.5 t-80 -91.66 130.87 37.48 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.543 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.604 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.4 Cg_endo -74.91 -9.56 20.95 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.528 1.804 . . . . 0.0 111.017 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.599 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -61.06 -80.39 0.1 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.512 1.132 . . . . 0.0 111.015 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.471 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.1 -167.99 34.4 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.464 ' O ' ' CG ' ' A' ' 43' ' ' GLU . 11.3 tt0 -121.72 -9.64 8.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 0.743 . . . . 0.0 110.253 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.547 ' O ' ' CG ' ' A' ' 44' ' ' GLU . 4.2 tt0 -120.71 -2.41 9.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.209 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.471 ' CG1' ' HA3' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -99.83 -29.04 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.512 HD21 ' HD1' ' A' ' 39' ' ' HIS . 1.2 mt -77.1 -35.47 56.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 109.311 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.615 ' HB3' HG21 ' A' ' 21' ' ' THR . 7.2 ptm180 -87.53 -22.71 24.7 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.131 . . . . 0.0 110.392 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -53.28 -30.13 36.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.314 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.567 ' CB ' ' HB2' ' A' ' 54' ' ' ALA . 37.3 mm-40 -100.95 9.88 41.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 110.373 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.834 ' HB2' HG23 ' A' ' 21' ' ' THR . . . -78.6 57.91 2.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.04 -36.85 0.03 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.461 1.101 . . . . 0.0 110.979 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.522 ' O ' ' CG2' ' A' ' 24' ' ' ILE . . . -122.7 -124.89 3.01 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.67 122.33 47.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 0.753 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.567 ' HB2' ' CB ' ' A' ' 49' ' ' GLN . . . -91.55 -18.86 23.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.413 1.07 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.486 ' HA ' ' HB3' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -49.46 -48.85 47.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.435 179.939 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -48.53 -29.04 3.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.507 ' O ' ' HB3' ' A' ' 60' ' ' ASP . 1.9 m-20 -100.01 -48.23 4.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.659 ' CE1' ' C4B' ' A' ' 95' ' ' HEM . 18.2 t80 -56.8 -39.47 74.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.143 . . . . 0.0 110.959 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.485 ' HB2' ' O ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -82.02 -23.85 35.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.273 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.507 ' HB3' ' O ' ' A' ' 57' ' ' ASN . 10.4 t70 -56.95 -58.38 8.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.45 ' H ' HG12 ' A' ' 61' ' ' VAL . 0.4 OUTLIER -59.89 -17.18 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 65.87 79.06 0.2 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.493 1.121 . . . . 0.0 111.046 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.6 ' CE1' ' CD1' ' A' ' 58' ' ' PHE . 53.8 m80 -74.73 140.05 43.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.441 0.73 . . . . 0.0 109.698 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.51 164.05 10.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 0.0 109.977 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.3 t -73.72 -13.29 60.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.42 1.075 . . . . 0.0 110.407 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -87.2 0.57 55.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.41 HG22 HMB1 ' A' ' 95' ' ' HEM . 0.3 OUTLIER -70.07 -21.99 24.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.423 1.077 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -63.39 -24.4 67.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.269 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -69.69 -30.44 68.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 67' ' ' VAL . 1.1 mm? -59.83 -72.6 0.1 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.407 1.067 . . . . 0.0 109.28 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 51.6 p -76.84 114.53 15.71 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.561 1.163 . . . . 0.0 109.923 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.95 -68.41 0.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.235 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.5 m -87.98 -23.11 23.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 110.391 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.414 ' O ' ' C ' ' A' ' 75' ' ' ILE . 18.5 m-85 -56.38 -37.28 69.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 111.008 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.977 HD11 ' CZ ' ' A' ' 30' ' ' TYR . 0.8 OUTLIER -38.64 140.21 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.891 HG12 HG13 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -99.53 -49.44 11.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.275 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.661 ' HA3' HG21 ' A' ' 4' ' ' VAL . . . 161.45 -111.15 0.47 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.507 1.129 . . . . 0.0 110.958 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -167.66 119.72 0.89 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 0.778 . . . . 0.0 110.269 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.931 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -59.99 157.63 12.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.328 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.771 ' HB2' HG22 ' A' ' 8' ' ' THR . 1.9 t-80 -35.99 136.97 0.49 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 0.0 109.638 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -19.55 17.84 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.548 1.815 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -79.46 -39.23 32.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.92 -27.68 54.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.783 ' HB2' HD11 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -62.6 -33.48 75.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.314 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.3 t -89.7 -3.44 58.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.975 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 33.1 mttt -88.84 -30.35 19.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.413 1.071 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.484 HD11 HD21 ' A' ' 9' ' ' LEU . 59.3 mt -65.19 -11.36 11.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.302 -180.0 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 95' ' ' HEM . . . . . 0.659 ' C4B' ' CE1' ' A' ' 58' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.622 HG21 ' HA2' ' A' ' 77' ' ' GLY . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.238 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.528 ' O ' ' CE2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -92.69 135.04 34.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.256 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -89.73 94.63 9.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.142 . . . . 0.0 111.008 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.528 ' CE2' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -105.34 129.78 53.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.982 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.794 HG22 ' HB2' ' A' ' 80' ' ' HIS . 43.4 p -79.42 159.09 27.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.462 1.101 . . . . 0.0 110.393 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.532 ' CD1' HD23 ' A' ' 79' ' ' LEU . 2.4 mp -39.79 -33.85 0.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -46.12 -24.72 0.48 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.442 1.089 . . . . 0.0 110.308 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 14' ' ' LYS . 18.7 mm-40 -98.88 -57.52 2.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.345 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.527 ' H ' HD12 ' A' ' 12' ' ' ILE . 3.8 mp -46.55 -39.73 4.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.146 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.447 ' NE2' ' O ' ' A' ' 51' ' ' GLY . 57.2 mm-40 -55.09 -34.48 63.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 110.325 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 11' ' ' GLU . 0.6 OUTLIER -74.71 -7.55 53.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -179.902 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.593 ' CD2' ' CH2' ' A' ' 22' ' ' TRP . 90.3 m-70 -107.82 44.85 1.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.595 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.5 tttm -109.92 53.07 0.7 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.576 1.173 . . . . 0.0 109.293 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -149.88 169.71 20.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.582 1.176 . . . . 0.0 109.245 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.45 -53.86 53.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.933 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.22 -41.13 36.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 109.266 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.72 110.64 6.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.007 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.682 HG21 HD11 ' A' ' 36' ' ' LEU . 0.8 OUTLIER -141.05 116.82 10.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.43 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.698 ' O ' HG13 ' A' ' 23' ' ' VAL . 14.0 m0 -117.53 -177.84 3.33 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.536 1.148 . . . . 0.0 108.041 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.698 HG13 ' O ' ' A' ' 22' ' ' TRP . 2.9 m -160.18 102.83 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.265 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.605 HG22 ' O ' ' A' ' 52' ' ' GLY . 5.0 tt -62.01 116.27 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.231 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.593 ' O ' HD12 ' A' ' 25' ' ' LEU . 4.3 pp -137.69 122.75 19.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.255 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.437 ' O ' ' HB3' ' A' ' 27' ' ' HIS . 67.9 m-70 63.67 36.7 10.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.575 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.517 ' CG ' ' HG3' ' A' ' 84' ' ' ARG . 3.4 t60 68.58 5.01 4.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.679 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.416 ' NZ ' ' OE1' ' A' ' 78' ' ' GLU . 3.6 mptp? -118.42 114.54 23.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.929 HG13 HG12 ' A' ' 76' ' ' ILE . 7.3 p -85.52 136.9 21.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.797 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 4.0 m-85 -117.79 139.18 51.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 111.018 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.645 ' CB ' HG22 ' A' ' 76' ' ' ILE . 9.0 t0 -100.31 83.31 2.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.425 1.078 . . . . 0.0 109.255 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.578 HD21 ' CG2' ' A' ' 23' ' ' VAL . 0.1 OUTLIER -91.87 22.44 4.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.484 ' HA ' HD12 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -67.17 -19.69 65.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.589 1.181 . . . . 0.0 110.381 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.01 -54.43 4.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.614 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -80.7 7.79 9.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.945 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.682 HD11 HG21 ' A' ' 21' ' ' THR . 0.2 OUTLIER -53.98 -41.89 68.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.253 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.36 -21.75 45.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.79 -2.43 56.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.423 1.077 . . . . 0.0 110.312 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.597 ' HB2' ' CZ ' ' A' ' 35' ' ' PHE . 23.3 t-80 -91.14 129.61 43.05 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.615 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.591 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.4 Cg_endo -74.9 -1.82 11.7 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.464 1.771 . . . . 0.0 110.979 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.579 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -70.07 -79.09 0.35 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.484 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -173.88 -169.57 36.27 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.415 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 12.5 tt0 -122.28 -13.97 7.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 0.787 . . . . 0.0 110.291 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -116.95 -2.64 11.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.632 1.208 . . . . 0.0 110.279 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.607 HG22 HD23 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -100.22 -28.97 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.607 HD23 HG22 ' A' ' 45' ' ' VAL . 4.6 mt -74.81 -37.99 62.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 109.305 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.484 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 3.8 ptm180 -84.17 -25.75 29.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 110.293 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.94 -23.71 2.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.298 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 74.4 mm-40 -116.54 23.26 12.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 110.281 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.484 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -85.51 58.08 4.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.447 ' O ' ' NE2' ' A' ' 13' ' ' GLN . . . -170.41 -36.77 0.03 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.526 1.141 . . . . 0.0 111.068 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.605 ' O ' HG22 ' A' ' 24' ' ' ILE . . . -110.75 -135.19 6.84 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.471 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -109.84 120.24 41.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.568 0.805 . . . . 0.0 109.319 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.655 ' HB3' ' HB ' ' A' ' 23' ' ' VAL . . . -93.82 -16.36 24.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.362 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.44 ' HA ' ' HB3' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -49.73 -32.09 12.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.389 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.89 -45.31 74.82 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.546 1.154 . . . . 0.0 110.279 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.462 ' O ' HG12 ' A' ' 61' ' ' VAL . 7.5 m-20 -80.4 -34.02 36.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 109.274 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.572 ' CD1' ' C ' ' A' ' 58' ' ' PHE . 0.9 OUTLIER -66.03 -39.78 90.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.963 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.404 ' CD ' ' C ' ' A' ' 59' ' ' GLU . 2.2 pp20? -79.73 -21.9 43.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.418 1.074 . . . . 0.0 110.296 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -61.91 -57.24 12.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.413 1.071 . . . . 0.0 109.317 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.462 HG12 ' O ' ' A' ' 57' ' ' ASN . 0.7 OUTLIER -59.89 -18.21 14.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.571 1.169 . . . . 0.0 109.298 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 66.63 78.59 0.24 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.46 1.1 . . . . 0.0 110.981 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.461 ' ND1' ' O ' ' A' ' 58' ' ' PHE . 47.9 m80 -73.05 139.94 46.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 0.75 . . . . 0.0 109.542 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.8 158.45 0.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.019 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 40.0 p -73.43 -13.25 61.04 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.132 . . . . 0.0 110.44 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.422 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 6.2 m-20 -95.35 13.13 26.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.258 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.431 HG11 ' HB3' ' A' ' 63' ' ' HIS . 0.3 OUTLIER -85.36 -25.88 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.409 ' CG ' ' N ' ' A' ' 69' ' ' GLU . 9.4 ptm180 -59.29 -41.99 90.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 66' ' ' ASP . 5.1 pt-20 -75.3 -21.23 58.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.426 1.079 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.32 -73.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.409 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 30.7 t -81.28 121.43 26.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.973 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.409 ' HD2' ' HA ' ' A' ' 69' ' ' GLU . 0.1 OUTLIER -138.33 -58.13 0.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.8 m -72.98 -26.12 61.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 110.371 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.42 ' O ' ' C ' ' A' ' 75' ' ' ILE . 20.8 m-85 -71.75 -36.2 70.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 111.026 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.797 HD11 ' CZ ' ' A' ' 30' ' ' TYR . 0.5 OUTLIER -37.97 150.78 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.409 1.068 . . . . 0.0 109.3 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.929 HG12 HG13 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -109.57 -45.45 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.622 ' HA2' HG21 ' A' ' 4' ' ' VAL . . . 154.88 -112.38 0.52 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.456 1.097 . . . . 0.0 111.023 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.511 ' HG2' HG11 ' A' ' 4' ' ' VAL . 4.6 pt-20 -167.03 119.46 0.95 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 0.742 . . . . 0.0 110.293 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.924 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -52.64 160.14 0.94 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.794 ' HB2' HG22 ' A' ' 8' ' ' THR . 2.0 t-80 -37.82 139.38 0.6 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.553 1.158 . . . . 0.0 109.658 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -21.51 15.85 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.416 1.745 . . . . 0.0 111.037 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -78.12 -37.63 45.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 109.331 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.69 -27.63 40.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.808 ' HB2' HD11 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -62.36 -35.31 78.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 110.223 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.0 m -83.99 -5.5 59.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 109.976 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.05 -27.94 22.87 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.527 1.142 . . . . 0.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.499 HD11 HD21 ' A' ' 9' ' ' LEU . 7.6 mm -71.65 -5.6 6.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.429 1.081 . . . . 0.0 109.204 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.411 1.07 . . . . 0.0 109.304 -179.998 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.63 HG21 ' CA ' ' A' ' 77' ' ' GLY . 1.1 t . . . . . 0 N--CA 1.452 -0.37 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.567 ' HB3' ' CE2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -88.27 134.91 33.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -90.19 91.48 8.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 110.984 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -101.95 129.67 48.28 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.482 1.114 . . . . 0.0 110.993 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.821 HG22 ' HB2' ' A' ' 80' ' ' HIS . 42.4 p -78.89 161.44 26.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.462 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.463 HD21 HD11 ' A' ' 87' ' ' ILE . 3.8 mp -39.89 -30.34 0.08 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.448 ' N ' ' C ' ' A' ' 8' ' ' THR . 1.4 tt0 -47.52 -24.11 0.78 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.161 . . . . 0.0 110.311 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.498 ' O ' ' CD2' ' A' ' 15' ' ' HIS . 19.4 mm-40 -98.85 -56.95 2.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.212 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.8 mp -52.99 -32.21 18.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.41 1.069 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -59.55 -45.75 90.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 110.251 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.63 -4.55 34.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.787 ' CD2' ' CH2' ' A' ' 22' ' ' TRP . 95.0 m-70 -104.84 43.5 1.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.649 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.3 ttmt -109.83 54.49 0.66 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 18' ' ' SER . 0.3 OUTLIER -146.44 146.74 30.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 17' ' ' ASP . 18.5 p -38.22 -42.66 0.71 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 110.003 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.63 -70.78 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.407 ' O ' ' O ' ' A' ' 15' ' ' HIS . 0.2 OUTLIER -123.06 97.78 5.59 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.102 . . . . 0.0 110.001 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.715 HG23 ' CB ' ' A' ' 50' ' ' ALA . 3.2 m -122.0 122.34 39.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.41 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.787 ' CH2' ' CD2' ' A' ' 15' ' ' HIS . 1.6 m0 -122.8 -175.98 3.29 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.692 HG22 HD21 ' A' ' 32' ' ' LEU . 1.8 m -159.94 109.14 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.358 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.637 HG22 ' O ' ' A' ' 52' ' ' GLY . 0.2 OUTLIER -64.94 120.44 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.335 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.654 ' O ' HD12 ' A' ' 25' ' ' LEU . 4.3 pp -140.86 125.51 17.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 4.5 t60 59.15 42.16 19.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.543 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.568 ' HA ' HD11 ' A' ' 24' ' ' ILE . 8.7 m-70 61.87 19.68 10.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.578 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.1 mtpt -134.74 117.22 15.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.986 HG13 HG12 ' A' ' 76' ' ' ILE . 3.4 p -87.89 138.89 18.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.907 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 5.1 m-85 -120.54 131.98 54.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.59 ' CB ' HG22 ' A' ' 76' ' ' ILE . 11.6 t70 -92.59 83.44 4.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.242 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.692 HD21 HG22 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -91.51 24.62 2.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.425 ' HA ' HD12 ' A' ' 36' ' ' LEU . 0.7 OUTLIER -70.49 -22.0 62.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.382 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.1 -53.45 4.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.194 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.621 ' CZ ' ' HB2' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -79.69 5.83 12.32 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 110.96 -179.924 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.947 ' HG ' HD12 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -52.12 -37.36 53.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.377 179.93 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.38 -23.77 37.44 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.474 1.109 . . . . 0.0 110.319 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.97 -2.94 56.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.307 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.836 ' ND1' HD21 ' A' ' 46' ' ' LEU . 17.9 t-80 -89.31 128.23 52.11 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.565 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.593 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.3 Cg_endo -74.96 -6.19 17.76 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.447 1.762 . . . . 0.0 111.02 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.579 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -67.73 -81.84 0.17 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.455 1.097 . . . . 0.0 110.991 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.502 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.2 -165.23 30.45 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.444 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 18.9 tt0 -120.72 -22.01 6.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 0.756 . . . . 0.0 110.273 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -108.26 6.52 26.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.1 . . . . 0.0 110.33 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.718 HG22 HD23 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -100.17 -45.16 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.947 HD12 ' HG ' ' A' ' 36' ' ' LEU . 7.8 mt -59.82 -58.58 7.96 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.104 . . . . 0.0 109.372 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.7 ' HB3' HG21 ' A' ' 21' ' ' THR . 2.5 ptm180 -63.4 -27.88 69.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.392 1.058 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.57 -25.81 1.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.264 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.487 ' O ' HG12 ' A' ' 23' ' ' VAL . 14.5 mm100 -120.23 24.28 10.5 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.458 1.099 . . . . 0.0 110.281 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.715 ' CB ' HG23 ' A' ' 21' ' ' THR . . . -84.06 60.95 6.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -169.96 -38.02 0.03 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.531 1.144 . . . . 0.0 110.994 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.637 ' O ' HG22 ' A' ' 24' ' ' ILE . . . -111.78 -135.68 6.7 Favored Glycine 0 CA--C 1.531 1.055 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.462 ' HB2' HG22 ' A' ' 55' ' ' THR . 9.1 p-10 -109.78 117.41 33.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 0.768 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -89.7 -16.72 29.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.462 HG22 ' HB2' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -49.53 -26.66 3.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.379 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.04 -41.78 61.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.421 1.076 . . . . 0.0 110.208 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.434 ' O ' HG12 ' A' ' 61' ' ' VAL . 5.5 m-20 -84.61 -32.42 23.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.559 ' CD1' ' C ' ' A' ' 58' ' ' PHE . 1.0 OUTLIER -67.72 -39.67 84.29 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.499 1.125 . . . . 0.0 111.008 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.425 ' CG ' ' O ' ' A' ' 55' ' ' THR . 2.3 pp20? -77.68 -22.31 50.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.26 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.28 -57.58 10.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.466 1.104 . . . . 0.0 109.216 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.434 HG12 ' O ' ' A' ' 57' ' ' ASN . 0.6 OUTLIER -60.03 -18.1 15.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.1 79.07 0.23 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.513 1.133 . . . . 0.0 111.033 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.468 ' ND1' ' O ' ' A' ' 58' ' ' PHE . 52.1 m80 -74.79 139.96 43.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 0.764 . . . . 0.0 109.583 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.0 t -48.18 154.07 0.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.005 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.1 t -73.61 -26.62 60.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 110.431 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -99.55 20.66 13.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 109.32 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.419 ' CG1' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -72.11 -44.29 65.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.269 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.419 ' N ' ' CG1' ' A' ' 67' ' ' VAL . 43.8 ttp180 -38.25 -38.98 0.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.423 1.077 . . . . 0.0 110.295 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -42.88 -27.73 0.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 110.217 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.415 ' N ' ' C ' ' A' ' 68' ' ' ARG . 1.6 mm? -68.68 -72.27 0.19 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 91.5 p -65.05 93.65 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.966 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.9 tptt -113.06 -71.58 0.75 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.456 1.097 . . . . 0.0 109.227 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.3 m -82.37 -22.2 35.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.362 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -62.62 -38.75 91.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.907 HD11 ' CZ ' ' A' ' 30' ' ' TYR . 1.0 OUTLIER -39.38 139.94 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.986 HG12 HG13 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -100.37 -44.75 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.377 179.915 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.63 ' CA ' HG21 ' A' ' 4' ' ' VAL . . . 155.44 -110.1 0.43 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.512 1.133 . . . . 0.0 110.936 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -170.04 119.68 0.61 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.446 0.733 . . . . 0.0 110.308 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.891 HD11 ' HB3' ' A' ' 84' ' ' ARG . 0.0 OUTLIER -52.42 160.73 0.78 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.253 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.821 ' HB2' HG22 ' A' ' 8' ' ' THR . 2.2 t-80 -34.02 138.53 0.3 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.623 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.553 ' HA ' ' CG ' ' A' ' 84' ' ' ARG . 18.4 Cg_endo -75.0 -22.1 15.16 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.547 1.814 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.407 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 0.4 OUTLIER -80.39 -23.68 40.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.595 ' HB3' HD21 ' A' ' 79' ' ' LEU . 0.3 OUTLIER -83.85 -45.19 13.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.891 ' HB3' HD11 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -59.55 -35.62 74.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.331 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.48 ' N ' ' CD ' ' A' ' 84' ' ' ARG . 0.4 OUTLIER -76.91 -15.01 59.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.566 1.166 . . . . 0.0 110.013 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.73 -14.89 27.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.169 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.472 ' O ' HG22 ' A' ' 87' ' ' ILE . 12.8 mm -74.44 -0.68 2.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.259 -179.932 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.609 HG21 ' CA ' ' A' ' 77' ' ' GLY . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.564 ' HB3' ' CE2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -86.42 138.86 31.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.427 ' CG ' ' HD3' ' A' ' 81' ' ' PRO . 10.2 m-85 -93.8 96.17 9.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 111.027 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.564 ' CE2' ' HB3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -105.85 129.71 53.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 111.037 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.736 HG22 ' HB2' ' A' ' 80' ' ' HIS . 44.6 p -80.05 157.33 26.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.356 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.739 HD21 ' CG1' ' A' ' 87' ' ' ILE . 3.0 mp -37.16 -33.21 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 8' ' ' THR . 1.7 tt0 -44.55 -25.08 0.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.297 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.583 ' O ' ' CD2' ' A' ' 15' ' ' HIS . 24.8 mm-40 -96.87 -56.19 2.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.321 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.5 HD11 ' CB ' ' A' ' 79' ' ' LEU . 4.5 mt -50.46 -39.6 17.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 0.0 109.229 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.433 ' OE1' ' O ' ' A' ' 51' ' ' GLY . 28.1 mm100 -60.09 -40.96 91.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 110.355 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.67 -3.31 30.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.714 ' CD2' ' CH2' ' A' ' 22' ' ' TRP . 92.4 m-70 -109.91 46.28 1.03 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.597 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -110.07 49.44 0.84 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 18' ' ' SER . 5.2 m-20 -144.95 147.78 33.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 17' ' ' ASP . 22.4 p -37.9 -48.5 1.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.0 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.4 -60.92 2.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.418 ' O ' ' O ' ' A' ' 15' ' ' HIS . 0.3 OUTLIER -126.49 103.11 7.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.032 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.689 HG23 ' CB ' ' A' ' 50' ' ' ALA . 22.3 m -127.84 118.97 24.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 110.368 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.714 ' CH2' ' CD2' ' A' ' 15' ' ' HIS . 13.7 m0 -118.72 -179.14 3.71 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.707 HG13 ' O ' ' A' ' 22' ' ' TRP . 3.9 m -160.11 103.87 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.551 ' CG2' ' O ' ' A' ' 52' ' ' GLY . 0.9 OUTLIER -64.55 105.96 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.609 ' O ' HD12 ' A' ' 25' ' ' LEU . 3.9 pp -128.02 124.96 38.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 67.48 34.8 4.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.574 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.462 ' O ' ' NH2' ' A' ' 84' ' ' ARG . 10.7 m-70 70.02 6.5 5.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.579 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.427 ' HG3' ' NH2' ' A' ' 84' ' ' ARG . 13.3 mttt -121.6 129.01 52.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.903 HG13 HG12 ' A' ' 76' ' ' ILE . 8.9 p -94.92 129.44 45.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.679 ' CD2' HG22 ' A' ' 75' ' ' ILE . 7.1 m-85 -117.63 127.31 53.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.61 ' HB2' HG22 ' A' ' 76' ' ' ILE . 11.4 t70 -80.02 93.19 5.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.58 HD21 ' CB ' ' A' ' 30' ' ' TYR . 1.0 OUTLIER -91.9 22.26 4.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.257 -179.922 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.572 ' HA ' HD12 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -78.25 -21.65 49.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.135 . . . . 0.0 110.46 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -90.16 -54.51 3.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.662 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -81.72 9.92 7.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.976 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.944 ' HG ' HD12 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -55.35 -46.61 76.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.402 1.064 . . . . 0.0 109.246 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.93 -24.1 60.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.55 -0.94 52.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.363 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.701 ' ND1' HD21 ' A' ' 46' ' ' LEU . 16.5 t-80 -95.05 128.2 39.9 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.554 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.612 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.3 Cg_endo -75.06 -4.6 15.62 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.518 1.799 . . . . 0.0 110.973 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.565 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -67.5 -81.32 0.18 Allowed Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.429 1.081 . . . . 0.0 110.974 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.493 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.14 -163.76 28.05 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.507 ' HA ' ' CD2' ' A' ' 36' ' ' LEU . 12.1 tt0 -121.19 -14.98 8.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 0.777 . . . . 0.0 110.3 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.505 ' HA ' ' CG ' ' A' ' 47' ' ' ARG . 0.8 OUTLIER -113.2 -20.05 11.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.29 179.925 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.493 ' CG1' ' HA3' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -70.51 -46.66 69.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.273 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.944 HD12 ' HG ' ' A' ' 36' ' ' LEU . 4.6 mt -57.85 -58.98 6.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.59 1.182 . . . . 0.0 109.274 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.743 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -61.74 -28.15 69.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 110.329 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' A' ' 44' ' ' GLU . 0.7 OUTLIER -46.3 -27.8 1.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.318 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 70.1 mm-40 -123.07 22.71 9.46 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.743 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -80.98 59.12 3.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.35 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.433 ' O ' ' OE1' ' A' ' 13' ' ' GLN . . . -170.0 -36.15 0.03 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.438 1.086 . . . . 0.0 111.037 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.551 ' O ' ' CG2' ' A' ' 24' ' ' ILE . . . -108.78 -133.02 6.76 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.451 ' O ' ' CG ' ' A' ' 56' ' ' GLU . 39.3 p-10 -109.88 117.68 34.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.415 0.715 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.455 ' HB3' ' HB ' ' A' ' 23' ' ' VAL . . . -90.28 -20.71 22.63 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -49.47 -27.36 4.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 110.408 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.451 ' CG ' ' O ' ' A' ' 53' ' ' ASP . 0.1 OUTLIER -73.18 -43.22 61.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.11 . . . . 0.0 110.355 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -83.32 -31.79 26.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.421 1.076 . . . . 0.0 109.265 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.554 ' CD1' ' C ' ' A' ' 58' ' ' PHE . 0.7 OUTLIER -68.18 -39.57 82.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 111.073 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.401 ' CD ' ' C ' ' A' ' 59' ' ' GLU . 2.1 pp20? -78.65 -20.62 49.85 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.55 1.156 . . . . 0.0 110.292 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -62.9 -57.22 11.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.464 ' H ' HG12 ' A' ' 61' ' ' VAL . 0.5 OUTLIER -59.91 -18.73 16.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.76 77.7 0.32 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.45 1.094 . . . . 0.0 111.014 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.462 ' ND1' ' O ' ' A' ' 58' ' ' PHE . 50.5 m80 -73.31 140.14 46.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 0.741 . . . . 0.0 109.575 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 78.3 p -44.29 161.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.012 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.8 t -78.85 -10.95 59.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.443 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -99.94 9.96 42.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 70' ' ' LEU . 0.6 OUTLIER -81.29 -41.85 19.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 45.3 ttt180 -50.78 -33.76 24.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.358 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -93.38 18.85 9.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.261 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 67' ' ' VAL . 0.2 OUTLIER -96.66 -55.93 2.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.231 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.83 92.95 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.027 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.41 ' O ' ' CG1' ' A' ' 75' ' ' ILE . 0.0 OUTLIER -124.41 -38.54 2.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.0 m -94.54 -25.5 16.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 110.337 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -100.03 39.93 1.29 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.8 ' O ' HD12 ' A' ' 75' ' ' ILE . 2.0 pp -117.39 141.18 37.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.903 HG12 HG13 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -102.31 -42.39 8.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.609 ' CA ' HG21 ' A' ' 4' ' ' VAL . . . 149.35 -116.4 0.79 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.503 1.127 . . . . 0.0 110.986 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.442 ' CB ' ' NH2' ' A' ' 84' ' ' ARG . 4.9 pt-20 -157.96 119.96 3.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.477 0.751 . . . . 0.0 110.334 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.816 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -46.42 162.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.736 ' HB2' HG22 ' A' ' 8' ' ' THR . 2.7 t-80 -36.18 144.97 0.24 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.561 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.52 ' HD2' ' CG ' ' A' ' 80' ' ' HIS . 18.6 Cg_endo -74.98 -21.85 15.46 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.497 1.788 . . . . 0.0 110.964 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -77.81 -54.02 6.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.69 -9.42 36.1 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.588 ' HG3' HD11 ' A' ' 79' ' ' LEU . 7.1 ttt180 -59.67 -32.29 70.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.605 1.191 . . . . 0.0 110.336 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.401 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 23.2 t -95.73 -4.86 43.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.995 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -75.35 -41.27 56.98 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.506 1.129 . . . . 0.0 109.254 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.739 ' CG1' HD21 ' A' ' 9' ' ' LEU . 6.2 mt -65.36 -13.24 14.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.532 1.145 . . . . 0.0 109.262 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 85' ' ' SER . . . . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.656 HG21 ' CA ' ' A' ' 77' ' ' GLY . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.516 ' HB3' ' CE2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -84.9 136.76 33.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.262 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -92.61 92.3 7.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 0.0 110.97 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.522 ' O ' ' HB2' ' A' ' 79' ' ' LEU . 0.1 OUTLIER -102.21 129.62 48.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 111.032 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.755 HG22 ' CB ' ' A' ' 80' ' ' HIS . 52.2 p -81.09 164.35 22.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 110.348 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.75 HD21 HD11 ' A' ' 87' ' ' ILE . 4.2 mp -41.02 -37.13 0.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -47.78 -22.45 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 110.296 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.411 ' N ' ' C ' ' A' ' 9' ' ' LEU . 4.3 mm-40 -95.04 -54.93 3.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.14 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.403 ' H ' HD12 ' A' ' 12' ' ' ILE . 3.5 mp -58.93 -32.15 46.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.437 ' HA ' ' NE2' ' A' ' 13' ' ' GLN . 13.7 mm-40 -55.05 -41.43 71.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 110.272 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.32 -5.98 45.35 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.806 ' CD2' ' CH2' ' A' ' 22' ' ' TRP . 96.9 m-70 -109.24 44.24 1.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.594 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.4 tttp -110.22 59.01 0.61 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 18' ' ' SER . 0.5 OUTLIER -157.63 150.26 22.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 109.263 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 17' ' ' ASP . 17.8 p -37.99 -53.9 1.33 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.977 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.34 -55.32 4.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 15' ' ' HIS . 0.2 OUTLIER -133.74 107.45 7.92 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 109.977 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.847 HG21 ' HB3' ' A' ' 47' ' ' ARG . 4.7 m -138.01 120.03 15.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.357 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.806 ' CH2' ' CD2' ' A' ' 15' ' ' HIS . 1.7 m0 -123.5 -173.4 2.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 107.984 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 1.062 HG22 HD21 ' A' ' 32' ' ' LEU . 14.1 m -159.78 110.73 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 109.256 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.763 HG22 ' HB ' ' A' ' 29' ' ' VAL . 1.2 pp -67.82 91.7 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.636 HD11 ' CE1' ' A' ' 30' ' ' TYR . 4.3 pp -111.6 137.39 49.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 50.12 47.51 23.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.666 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.442 ' CG ' ' HG3' ' A' ' 84' ' ' ARG . 5.3 m-70 56.1 20.3 4.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.598 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 25' ' ' LEU . 25.2 mtpt -137.67 116.22 12.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.971 HG13 HG12 ' A' ' 76' ' ' ILE . 4.4 p -85.83 137.28 21.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.866 ' CE2' HD11 ' A' ' 75' ' ' ILE . 4.2 m-85 -118.06 134.09 55.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.621 ' HB2' HG22 ' A' ' 76' ' ' ILE . 25.2 t0 -88.06 83.74 6.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 1.062 HD21 HG22 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -93.1 27.0 2.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.433 ' HA ' HD12 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -75.88 -24.12 55.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.389 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.432 ' HD2' HG22 ' A' ' 33' ' ' THR . 0.0 OUTLIER -90.04 -44.19 10.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 109.333 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.626 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -89.72 7.8 34.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.952 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.469 HD12 ' O ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -55.23 -43.1 74.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.02 -22.56 49.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.269 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -82.41 -2.46 53.16 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.466 1.104 . . . . 0.0 110.303 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.603 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 28.0 t-80 -94.19 131.72 30.84 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.595 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.603 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.5 Cg_endo -75.05 -8.55 20.12 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.443 1.759 . . . . 0.0 110.999 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.553 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -63.26 -79.24 0.16 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.497 1.123 . . . . 0.0 111.027 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.465 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.22 -165.54 30.93 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.431 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 12.9 tt0 -120.69 -14.79 8.53 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.495 0.762 . . . . 0.0 110.348 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.523 ' HA ' ' CG ' ' A' ' 47' ' ' ARG . 0.7 OUTLIER -114.45 -27.12 7.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.464 1.103 . . . . 0.0 110.309 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.484 ' HA ' ' HB2' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -71.72 -34.65 52.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 0.0 109.29 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.419 ' N ' HD23 ' A' ' 46' ' ' LEU . 3.5 mt -68.91 -44.65 72.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.258 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.847 ' HB3' HG21 ' A' ' 21' ' ' THR . 3.3 ptm180 -81.19 -23.68 37.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.318 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.484 ' HB2' ' HA ' ' A' ' 45' ' ' VAL . 0.6 OUTLIER -43.56 -25.38 0.16 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.495 1.122 . . . . 0.0 110.345 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.54 ' O ' HG12 ' A' ' 23' ' ' VAL . 15.0 mm100 -125.03 43.41 3.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 110.356 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.77 ' HB2' HG23 ' A' ' 21' ' ' THR . . . -93.34 53.26 1.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.2 -35.54 0.03 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.401 1.063 . . . . 0.0 111.051 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.442 ' O ' HG13 ' A' ' 24' ' ' ILE . . . -104.74 -140.89 10.61 Favored Glycine 0 CA--C 1.531 1.056 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.79 115.17 29.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 0.79 . . . . 0.0 109.264 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.505 ' O ' ' N ' ' A' ' 58' ' ' PHE . . . -90.73 -17.68 26.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.462 ' O ' ' CG ' ' A' ' 59' ' ' GLU . 0.3 OUTLIER -49.47 -25.98 3.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 110.428 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.45 -41.81 54.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 110.316 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -85.96 -28.21 24.4 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.569 ' CD1' ' C ' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -72.97 -39.56 66.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 110.957 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.462 ' CG ' ' O ' ' A' ' 55' ' ' THR . 2.2 pp20? -76.68 -20.36 56.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 110.251 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -58.26 -55.43 35.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.433 ' H ' HG12 ' A' ' 61' ' ' VAL . 1.2 p -63.31 -19.01 22.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.396 1.06 . . . . 0.0 109.336 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 70.55 76.83 0.51 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.446 1.091 . . . . 0.0 110.985 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.559 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 51.8 m80 -71.38 137.82 48.68 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.501 0.765 . . . . 0.0 109.598 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.7 m -48.32 155.47 0.5 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.598 1.186 . . . . 0.0 109.999 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.9 p -74.83 -23.71 58.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.424 1.077 . . . . 0.0 110.355 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -97.97 17.33 18.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 70' ' ' LEU . 1.1 p -70.27 -41.23 78.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.267 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.26 -35.14 0.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.28 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -52.12 -35.34 47.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 67' ' ' VAL . 2.9 mm? -62.0 -62.71 1.59 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.545 1.153 . . . . 0.0 109.36 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.15 57.33 0.65 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 110.011 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.42 -41.77 21.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.8 m -110.2 -8.58 14.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 110.396 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.595 ' CE2' ' HB2' ' A' ' 35' ' ' PHE . 17.6 m-85 -88.75 29.14 1.04 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.866 HD11 ' CE2' ' A' ' 30' ' ' TYR . 1.4 mm -103.36 150.44 6.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 0.0 109.288 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.971 HG12 HG13 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -115.59 -45.38 4.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.219 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.656 ' CA ' HG21 ' A' ' 4' ' ' VAL . . . 154.53 -112.63 0.53 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.43 1.081 . . . . 0.0 111.037 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -167.08 119.66 0.95 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.405 0.709 . . . . 0.0 110.31 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.933 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -54.0 155.67 3.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.755 ' CB ' HG22 ' A' ' 8' ' ' THR . 3.6 t-80 -33.14 142.67 0.18 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.62 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.465 ' HD2' ' CG ' ' A' ' 80' ' ' HIS . 18.3 Cg_endo -75.11 -36.14 2.66 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.492 1.786 . . . . 0.0 110.961 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.99 -44.58 95.63 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.538 1.149 . . . . 0.0 109.277 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.78 -36.08 77.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.343 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.817 ' HB2' HD11 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -64.41 -38.92 92.74 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.57 1.169 . . . . 0.0 110.269 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.14 -14.25 58.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.98 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -80.05 -25.29 40.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 109.362 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.75 HD11 HD21 ' A' ' 9' ' ' LEU . 20.0 mt -80.8 3.18 2.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.974 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.436 HG11 ' HG2' ' A' ' 78' ' ' GLU . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.591 ' O ' ' CE2' ' A' ' 7' ' ' TYR . 0.1 OUTLIER -90.76 131.84 36.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -88.42 94.7 9.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 111.006 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.591 ' CE2' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -103.2 129.74 50.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 111.035 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.704 HG22 ' HB2' ' A' ' 80' ' ' HIS . 59.8 p -78.45 161.25 27.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.417 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.685 HD21 HD11 ' A' ' 87' ' ' ILE . 3.8 mp -40.26 -29.8 0.09 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.562 1.164 . . . . 0.0 109.256 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.449 ' N ' ' C ' ' A' ' 8' ' ' THR . 2.2 tt0 -51.98 -19.36 1.79 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.314 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.6 ' O ' ' CD2' ' A' ' 15' ' ' HIS . 0.6 OUTLIER -99.95 -54.82 2.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 110.373 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.4 mp -59.77 -28.51 40.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.411 ' OE1' ' CA ' ' A' ' 51' ' ' GLY . 22.1 mm100 -62.18 -43.05 99.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.55 -7.52 52.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.794 ' CD2' ' CH2' ' A' ' 22' ' ' TRP . 90.8 m-70 -105.21 46.04 0.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.589 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.3 tttp -110.14 58.06 0.61 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 20' ' ' SER . 12.1 m-20 -148.78 155.3 40.76 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 75.1 p -46.5 -44.68 17.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.042 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.1 ptmt -57.99 -41.35 82.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.344 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 17' ' ' ASP . 0.9 OUTLIER -140.03 112.29 7.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.972 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.847 HG21 ' HB3' ' A' ' 47' ' ' ARG . 3.4 m -145.36 113.45 6.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.359 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.794 ' CH2' ' CD2' ' A' ' 15' ' ' HIS . 3.6 m0 -117.1 -179.03 3.58 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.911 HG22 HD21 ' A' ' 32' ' ' LEU . 10.6 m -157.02 106.64 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.557 1.161 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.594 HD13 ' C ' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -67.08 105.26 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.464 ' O ' HD12 ' A' ' 25' ' ' LEU . 3.8 pp -125.95 128.15 47.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.349 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 43.8 t60 59.33 35.54 23.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.616 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.522 ' CG ' ' HG3' ' A' ' 84' ' ' ARG . 1.4 m170 69.96 4.93 5.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 109.607 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -121.04 110.13 15.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 1.002 HG13 HG12 ' A' ' 76' ' ' ILE . 4.3 p -86.4 137.76 20.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.257 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.961 ' CE2' HD11 ' A' ' 75' ' ' ILE . 3.4 m-85 -118.76 137.18 53.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.954 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.553 ' CB ' HG22 ' A' ' 76' ' ' ILE . 27.8 t0 -93.86 80.15 4.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.911 HD21 HG22 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -84.23 16.43 3.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.458 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 0.5 OUTLIER -63.85 -20.8 66.09 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 110.406 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.28 -53.01 4.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.582 1.176 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.678 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -85.13 12.73 7.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.978 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.468 ' HB2' ' O ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -59.04 -32.06 69.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -88.39 -18.19 28.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.429 1.081 . . . . 0.0 110.217 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.37 -4.26 59.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.304 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.62 ' HB2' ' CZ ' ' A' ' 35' ' ' PHE . 31.1 t-80 -88.79 131.46 41.46 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.591 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.61 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.3 Cg_endo -74.99 0.14 9.26 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.415 1.745 . . . . 0.0 110.967 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.583 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -74.0 -79.56 0.52 Allowed Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.564 1.165 . . . . 0.0 110.961 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.51 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.07 -163.59 27.73 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.425 ' HA ' HD23 ' A' ' 36' ' ' LEU . 18.5 tt0 -123.63 -16.88 6.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.421 0.718 . . . . 0.0 110.275 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.431 ' O ' ' OE2' ' A' ' 48' ' ' GLU . 0.2 OUTLIER -115.53 -12.16 11.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.289 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.51 ' CG1' ' HA3' ' A' ' 42' ' ' GLY . 0.2 OUTLIER -89.76 -23.49 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.6 mt -79.57 -36.74 37.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.847 ' HB3' HG21 ' A' ' 21' ' ' THR . 1.6 ptt180 -87.59 -21.97 25.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 110.285 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.431 ' OE2' ' O ' ' A' ' 44' ' ' GLU . 1.0 OUTLIER -48.25 -26.1 1.82 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 110.288 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -117.9 24.08 11.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 110.321 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.808 ' CB ' HG23 ' A' ' 21' ' ' THR . . . -86.63 62.23 7.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.575 1.172 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.411 ' CA ' ' OE1' ' A' ' 13' ' ' GLN . . . -170.07 -36.89 0.03 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.55 1.156 . . . . 0.0 111.014 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.545 ' O ' HG22 ' A' ' 24' ' ' ILE . . . -115.31 -125.61 3.97 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -109.78 121.57 45.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 0.77 . . . . 0.0 109.268 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.472 ' CB ' ' HB ' ' A' ' 23' ' ' VAL . . . -92.3 -21.83 20.07 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.583 ' HA ' ' HB3' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -49.38 -44.74 45.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.567 1.167 . . . . 0.0 110.389 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.89 -34.5 9.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.453 1.096 . . . . 0.0 110.298 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.534 ' O ' HG12 ' A' ' 61' ' ' VAL . 4.6 m-80 -100.28 -44.02 6.08 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.562 1.164 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.583 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 0.7 OUTLIER -58.52 -39.99 81.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.525 ' HB2' ' O ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -81.58 -16.66 50.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 110.35 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.453 ' HB3' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -70.83 -53.81 13.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 0.0 109.261 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.534 HG12 ' O ' ' A' ' 57' ' ' ASN . 0.8 OUTLIER -59.8 -19.37 17.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 69.24 78.22 0.36 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.488 1.117 . . . . 0.0 110.926 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.489 ' ND1' ' O ' ' A' ' 58' ' ' PHE . 49.8 m80 -73.92 140.01 45.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 0.785 . . . . 0.0 109.592 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.35 151.89 0.48 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 110.036 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 53.0 p -73.22 -26.35 61.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 110.401 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -95.51 15.7 19.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.467 HG11 ' HB3' ' A' ' 63' ' ' HIS . 1.8 p -74.65 -12.43 15.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.612 1.195 . . . . 0.0 109.328 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.08 -12.4 50.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.429 1.081 . . . . 0.0 110.354 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -87.72 -11.1 49.24 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.601 1.188 . . . . 0.0 110.296 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -78.4 -67.2 0.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.348 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.3 t -87.18 91.58 8.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 110.001 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.18 -52.16 2.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.444 HG22 ' CD1' ' A' ' 74' ' ' TYR . 0.6 OUTLIER -81.22 -27.59 35.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 110.42 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.444 ' CD1' HG22 ' A' ' 73' ' ' THR . 8.5 m-85 -76.3 2.36 13.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.937 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.961 HD11 ' CE2' ' A' ' 30' ' ' TYR . 1.3 mm -69.84 148.18 11.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.485 1.115 . . . . 0.0 109.25 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 1.002 HG12 HG13 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -113.57 -42.44 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 109.289 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 149.22 -119.49 1.06 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.42 1.075 . . . . 0.0 111.033 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.436 ' HG2' HG11 ' A' ' 4' ' ' VAL . 7.0 pt-20 -160.74 119.76 2.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 0.758 . . . . 0.0 110.346 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.865 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -52.65 161.07 0.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.704 ' HB2' HG22 ' A' ' 8' ' ' THR . 3.0 t-80 -36.49 139.1 0.46 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.586 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -21.01 16.45 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.507 1.793 . . . . 0.0 111.038 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.498 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 0.3 OUTLIER -79.08 -40.81 30.22 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.01 -32.5 67.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.758 ' HB2' HD11 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -62.56 -34.28 76.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.259 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.42 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 30.4 t -89.45 -15.48 33.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 110.009 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 8.4 mmtt -68.31 -35.45 77.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.15 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.685 HD11 HD21 ' A' ' 9' ' ' LEU . 24.1 mt -71.62 -9.1 12.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 85' ' ' SER . . . . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.607 HG21 ' CA ' ' A' ' 77' ' ' GLY . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.549 ' HB3' ' CE2' ' A' ' 7' ' ' TYR . 0.3 OUTLIER -84.21 136.53 33.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -93.6 94.87 8.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 111.035 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.549 ' CE2' ' HB3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -105.13 129.79 53.45 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.549 1.156 . . . . 0.0 110.991 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.525 HG22 ' HB2' ' A' ' 80' ' ' HIS . 42.8 p -76.62 160.0 29.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.409 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.563 ' O ' ' CG ' ' A' ' 13' ' ' GLN . 1.3 mp -35.61 -41.77 0.21 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 9' ' ' LEU . 49.9 tt0 -38.24 -28.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.48 1.113 . . . . 0.0 110.282 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.548 ' OE2' ' CG ' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -95.45 -53.15 3.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.321 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.646 HD11 ' HB3' ' A' ' 79' ' ' LEU . 34.3 mt -53.38 -34.98 23.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.563 ' CG ' ' O ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -81.96 -23.33 36.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.333 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.19 -14.68 60.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.406 1.066 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.475 ' ND1' ' CZ2' ' A' ' 22' ' ' TRP . 7.3 m170 -116.35 54.56 0.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.561 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.5 ' HG3' ' HB3' ' A' ' 50' ' ' ALA . 0.8 OUTLIER -109.11 66.88 0.64 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.122 . . . . 0.0 109.254 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 20' ' ' SER . 16.2 m-20 -150.47 157.94 43.59 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.557 1.161 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.8 t -48.43 -44.72 35.44 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.438 1.086 . . . . 0.0 110.029 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.436 ' O ' HG21 ' A' ' 33' ' ' THR . 0.0 OUTLIER -59.78 -41.56 91.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 17' ' ' ASP . 0.2 OUTLIER -140.04 115.4 9.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.988 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.84 HG21 ' HB3' ' A' ' 47' ' ' ARG . 2.2 m -150.26 126.58 10.72 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.479 1.112 . . . . 0.0 110.376 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.702 ' O ' HG13 ' A' ' 23' ' ' VAL . 1.6 m0 -124.81 -174.34 3.01 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.702 HG13 ' O ' ' A' ' 22' ' ' TRP . 3.2 m -160.05 111.69 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.607 ' CD1' HD12 ' A' ' 79' ' ' LEU . 1.1 tt -69.25 100.01 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.347 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.47 ' HG ' ' CD1' ' A' ' 30' ' ' TYR . 3.8 pp -118.94 124.77 47.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.152 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 77.0 m80 65.78 37.1 5.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.577 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 19.7 m170 66.55 12.43 8.74 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.388 1.055 . . . . 0.0 109.634 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.404 ' O ' ' CE1' ' A' ' 30' ' ' TYR . 32.0 mtpt -126.83 121.98 33.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 109.255 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.911 HG13 HG12 ' A' ' 76' ' ' ILE . 10.5 p -90.24 133.24 32.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.726 ' CD2' HG22 ' A' ' 75' ' ' ILE . 29.0 m-85 -121.46 133.54 55.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 110.988 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.559 ' CB ' HG22 ' A' ' 76' ' ' ILE . 14.3 t0 -91.44 92.14 8.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.508 HD23 ' O ' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -100.8 20.15 15.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.44 ' HB ' ' OD1' ' A' ' 31' ' ' ASP . 0.4 OUTLIER -66.58 -21.75 66.14 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.376 1.048 . . . . 0.0 110.375 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.6 tppt? -82.81 -50.88 8.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.22 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.555 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -87.91 7.21 31.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.973 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -55.34 -37.69 67.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.358 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.18 -21.85 39.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.293 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -85.81 -7.58 58.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.24 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.593 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 34.7 t-80 -83.66 133.18 47.09 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.546 1.154 . . . . 0.0 109.576 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.593 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.3 Cg_endo -75.09 -15.44 20.55 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.494 1.786 . . . . 0.0 110.999 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.583 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -56.22 -80.63 0.08 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.581 1.176 . . . . 0.0 110.984 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.489 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.05 -164.49 29.18 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.419 ' O ' ' CG ' ' A' ' 43' ' ' GLU . 7.3 tt0 -123.27 -12.81 7.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 0.753 . . . . 0.0 110.252 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -119.48 -1.55 10.68 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.517 1.136 . . . . 0.0 110.342 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.489 ' CG1' ' HA3' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -100.18 -26.96 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.403 HD23 HG22 ' A' ' 45' ' ' VAL . 1.9 mt -79.56 -33.84 41.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.421 1.076 . . . . 0.0 109.343 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.84 ' HB3' HG21 ' A' ' 21' ' ' THR . 5.2 ptm180 -91.38 -17.58 25.61 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 110.313 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -56.88 -16.47 6.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.349 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.614 ' O ' HG12 ' A' ' 23' ' ' VAL . 18.3 mm100 -121.17 30.23 6.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.241 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.822 ' HB2' HG23 ' A' ' 21' ' ' THR . . . -87.0 52.85 2.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.16 -35.46 0.03 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.584 1.178 . . . . 0.0 111.033 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.524 ' O ' ' CG2' ' A' ' 24' ' ' ILE . . . -109.93 -138.85 8.15 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -109.71 120.53 42.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.432 0.724 . . . . 0.0 109.341 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -87.7 -18.3 29.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.337 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.573 ' HA ' ' HB3' ' A' ' 58' ' ' PHE . 0.5 OUTLIER -49.47 -50.57 40.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 110.408 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -44.02 -32.97 1.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.289 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.483 ' O ' HG12 ' A' ' 61' ' ' VAL . 18.6 m-20 -99.1 -50.39 4.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.573 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 1.3 t80 -51.52 -39.87 58.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 111.031 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.456 ' HB2' ' O ' ' A' ' 55' ' ' THR . 0.2 OUTLIER -78.66 -23.66 45.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.339 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.482 ' HB3' ' O ' ' A' ' 57' ' ' ASN . 23.6 t0 -64.3 -56.48 14.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.483 HG12 ' O ' ' A' ' 57' ' ' ASN . 0.3 OUTLIER -59.9 -17.44 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 66.1 79.46 0.2 Allowed Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.528 1.142 . . . . 0.0 111.0 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.472 ' ND1' ' O ' ' A' ' 58' ' ' PHE . 56.6 m80 -75.86 138.93 41.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.421 0.718 . . . . 0.0 109.562 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.404 ' O ' ' HB ' ' A' ' 67' ' ' VAL . 2.6 m -53.64 161.01 1.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.999 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.3 m -78.65 -9.29 59.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.384 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.41 ' O ' ' CD ' ' A' ' 69' ' ' GLU . 45.5 m-20 -100.1 7.53 44.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.34 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.404 ' HB ' ' O ' ' A' ' 64' ' ' SER . 0.5 OUTLIER -74.68 -30.32 24.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.414 1.071 . . . . 0.0 109.3 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.1 ptt85 -62.08 -30.84 71.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 110.298 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.41 ' CD ' ' O ' ' A' ' 66' ' ' ASP . 5.2 pt-20 -62.49 -17.44 59.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.307 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.505 HD23 ' HA ' ' A' ' 70' ' ' LEU . 7.2 mt -89.94 -40.75 12.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.662 ' O ' HG23 ' A' ' 75' ' ' ILE . 1.0 OUTLIER -67.35 -29.5 69.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.015 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 71' ' ' SER . 1.8 mmtt -39.41 -39.69 0.71 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.6 m -87.34 -34.92 18.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 110.41 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.461 ' N ' ' O ' ' A' ' 71' ' ' SER . 5.0 m-85 -100.03 57.69 0.98 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.084 . . . . 0.0 110.989 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.726 HG22 ' CD2' ' A' ' 30' ' ' TYR . 2.2 pp -123.92 162.16 25.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.911 HG12 HG13 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -125.47 -44.45 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.607 ' CA ' HG21 ' A' ' 4' ' ' VAL . . . 153.02 -114.16 0.61 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.465 1.103 . . . . 0.0 111.017 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -165.44 119.79 1.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 0.727 . . . . 0.0 110.338 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.864 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -47.93 162.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.582 1.176 . . . . 0.0 109.314 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.573 ' N ' HD22 ' A' ' 79' ' ' LEU . 4.0 t-80 -40.58 143.42 0.68 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.105 . . . . 0.0 109.625 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.491 ' HD2' ' CG ' ' A' ' 80' ' ' HIS . 18.2 Cg_endo -75.01 -28.27 9.29 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.451 1.763 . . . . 0.0 111.018 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -71.67 -42.88 66.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.243 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.86 -30.99 66.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.314 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.702 ' HB2' HD11 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -60.17 -34.09 73.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.271 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 29.1 t -83.17 -8.95 59.42 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 109.931 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -89.35 -24.16 22.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.272 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.7 mt -61.97 -13.52 9.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.338 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 -179.972 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.744 HG21 ' CA ' ' A' ' 77' ' ' GLY . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.501 ' O ' ' CE2' ' A' ' 7' ' ' TYR . 22.3 tttt -87.7 139.28 30.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -93.13 90.93 7.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 111.04 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.501 ' CE2' ' O ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -98.57 129.7 45.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 111.036 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.53 HG22 ' HB2' ' A' ' 80' ' ' HIS . 14.9 p -78.34 155.47 30.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.409 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.695 ' CD2' HD11 ' A' ' 87' ' ' ILE . 3.2 mp -39.69 -31.92 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.428 ' N ' ' C ' ' A' ' 8' ' ' THR . 1.4 tt0 -48.62 -26.09 2.08 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.525 1.141 . . . . 0.0 110.282 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.408 ' OE1' ' HB3' ' A' ' 10' ' ' GLU . 2.7 mm-40 -97.25 -55.74 2.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.584 1.178 . . . . 0.0 110.213 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.424 HG23 ' HB2' ' A' ' 22' ' ' TRP . 3.0 mp -49.17 -38.52 11.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.408 ' OE1' ' HA ' ' A' ' 13' ' ' GLN . 37.0 mm-40 -54.46 -26.44 31.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.607 1.192 . . . . 0.0 110.332 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.13 -8.52 56.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.265 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.811 ' CE1' ' CZ2' ' A' ' 22' ' ' TRP . 36.4 m-70 -108.97 51.16 0.75 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.514 1.134 . . . . 0.0 109.598 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.5 ttpt -110.14 52.43 0.73 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -160.14 163.33 33.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.7 p -50.64 -49.83 55.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 110.006 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.86 -46.65 21.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.91 114.17 9.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.987 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.823 HG23 ' HB2' ' A' ' 50' ' ' ALA . 1.3 m -136.35 115.92 12.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.339 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.811 ' CZ2' ' CE1' ' A' ' 15' ' ' HIS . 41.2 m0 -114.56 175.42 5.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.467 1.104 . . . . 0.0 108.034 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 23' ' ' VAL . 26.6 m -157.7 99.29 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.595 ' CD1' HD12 ' A' ' 79' ' ' LEU . 4.0 tp -69.19 100.09 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.502 HD23 HG23 ' A' ' 23' ' ' VAL . 4.3 pp -118.97 136.0 54.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.549 ' O ' ' CG ' ' A' ' 27' ' ' HIS . 24.1 m-70 46.04 51.65 10.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 109.585 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.549 ' CG ' ' O ' ' A' ' 26' ' ' HIS . 21.2 p-80 53.24 28.29 7.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.624 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.44 ' HG2' ' O ' ' A' ' 26' ' ' HIS . 10.2 mmmm -140.72 109.56 6.04 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.566 1.166 . . . . 0.0 109.286 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.98 HG13 HG12 ' A' ' 76' ' ' ILE . 11.1 p -88.76 138.75 18.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 1.016 ' CE2' HD11 ' A' ' 75' ' ' ILE . 5.8 m-85 -123.96 145.45 49.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.534 1.146 . . . . 0.0 111.013 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.659 ' CB ' HG22 ' A' ' 76' ' ' ILE . 8.2 t70 -97.61 99.6 10.99 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.732 HD22 ' N ' ' A' ' 32' ' ' LEU . 0.5 OUTLIER -94.56 -3.4 49.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.423 ' HA ' HD12 ' A' ' 36' ' ' LEU . 0.4 OUTLIER -52.72 -18.43 1.82 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.597 1.186 . . . . 0.0 110.334 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -90.19 -57.02 2.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.335 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.735 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -89.41 21.16 3.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.586 1.178 . . . . 0.0 110.977 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.563 ' N ' ' O ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -60.84 -41.02 95.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.01 -18.17 40.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.338 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -86.74 -5.3 59.16 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.538 1.149 . . . . 0.0 110.241 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.6 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 25.1 t-80 -86.06 130.22 51.03 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.634 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.6 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.3 Cg_endo -75.07 -3.55 14.09 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.476 1.777 . . . . 0.0 111.007 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.599 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -67.76 -80.42 0.21 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.535 1.147 . . . . 0.0 110.965 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.455 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.08 -166.92 32.92 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.434 ' O ' ' CG ' ' A' ' 43' ' ' GLU . 7.0 tt0 -122.74 -10.88 8.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 0.749 . . . . 0.0 110.315 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.433 ' O ' ' HB2' ' A' ' 48' ' ' GLU . 9.8 pm0 -119.48 -1.89 10.62 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.522 1.139 . . . . 0.0 110.281 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.455 ' CG1' ' HA3' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -100.35 -28.67 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.404 HD23 ' N ' ' A' ' 46' ' ' LEU . 1.2 mt -77.27 -32.39 55.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.403 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -88.61 -21.47 23.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.245 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.433 ' HB2' ' O ' ' A' ' 44' ' ' GLU . 0.5 OUTLIER -63.03 -12.93 29.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 0.0 110.322 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.511 ' OE1' ' CB ' ' A' ' 57' ' ' ASN . 1.2 mt-30 -135.71 41.14 2.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.352 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.823 ' HB2' HG23 ' A' ' 21' ' ' THR . . . -104.09 60.7 0.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.418 1.074 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.26 -37.39 0.03 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.538 1.149 . . . . 0.0 110.969 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -106.26 -138.38 9.09 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.45 ' HB2' HG22 ' A' ' 55' ' ' THR . 6.9 p-10 -110.0 116.59 31.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.582 0.813 . . . . 0.0 109.275 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.508 ' O ' ' N ' ' A' ' 58' ' ' PHE . . . -92.72 -12.4 31.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.45 HG22 ' HB2' ' A' ' 53' ' ' ASP . 0.6 OUTLIER -49.45 -24.88 2.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 110.39 179.904 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.6 -43.18 39.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.164 . . . . 0.0 110.374 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.511 ' CB ' ' OE1' ' A' ' 49' ' ' GLN . 1.3 m120 -84.62 -29.28 25.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.581 ' CE1' ' HB2' ' A' ' 63' ' ' HIS . 1.1 t80 -71.04 -39.71 72.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.45 ' CG ' ' O ' ' A' ' 55' ' ' THR . 1.6 pp20? -76.66 -21.2 55.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 110.242 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -59.72 -57.42 12.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 109.347 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -62.13 -16.63 16.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 66.87 80.64 0.18 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.533 1.146 . . . . 0.0 111.015 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.581 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 59.9 m80 -73.0 140.04 47.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 0.741 . . . . 0.0 109.593 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.03 139.9 58.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 110.015 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.3 t -59.75 -15.65 21.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 110.427 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.4 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 0.4 OUTLIER -85.79 8.0 21.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.427 1.08 . . . . 0.0 109.304 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.6 p -84.9 -23.8 7.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.351 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.6 tpp85 -53.67 -27.91 30.36 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 66' ' ' ASP . 2.5 pt-20 -86.68 -26.98 24.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -55.63 -60.3 3.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.582 1.176 . . . . 0.0 109.313 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.4 p -85.32 61.82 7.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.969 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.26 -46.03 11.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.3 m -94.93 -12.72 26.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.375 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 6.5 m-30 -89.49 22.81 2.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 111.038 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 1.016 HD11 ' CE2' ' A' ' 30' ' ' TYR . 0.9 OUTLIER -94.42 148.36 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.155 . . . . 0.0 109.295 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.98 HG12 HG13 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -114.24 -41.33 3.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.744 ' CA ' HG21 ' A' ' 4' ' ' VAL . . . 150.49 -113.06 0.57 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.479 1.112 . . . . 0.0 111.076 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.485 ' HA ' HG12 ' A' ' 29' ' ' VAL . 16.9 pt-20 -170.12 119.85 0.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 0.77 . . . . 0.0 110.32 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.963 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -53.17 157.03 1.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.083 . . . . 0.0 109.286 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.531 ' N ' HD22 ' A' ' 79' ' ' LEU . 5.0 t-80 -35.92 142.35 0.3 Allowed Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 0.0 109.586 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.465 ' HD2' ' CG ' ' A' ' 80' ' ' HIS . 18.3 Cg_endo -74.98 -29.07 8.64 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.518 1.799 . . . . 0.0 110.94 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -71.73 -42.59 67.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.4 ' CG ' ' HB ' ' A' ' 8' ' ' THR . 1.5 m-20 -70.79 -32.72 69.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.343 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.826 ' HB2' HD11 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -61.35 -32.48 72.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.339 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 42.5 t -88.18 -11.45 46.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.998 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.67 -30.51 41.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.695 HD11 ' CD2' ' A' ' 9' ' ' LEU . 6.6 mm -67.96 -9.27 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.464 1.103 . . . . 0.0 109.238 179.959 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.543 HG21 ' CA ' ' A' ' 77' ' ' GLY . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.589 ' O ' ' CE2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -84.25 130.92 34.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.449 1.093 . . . . 0.0 109.315 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -89.39 94.25 9.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 111.07 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.589 ' CE2' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -99.62 129.87 45.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.973 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.549 HG22 ' HB2' ' A' ' 80' ' ' HIS . 6.9 p -80.72 157.13 25.95 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 110.398 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.874 HD21 HD11 ' A' ' 87' ' ' ILE . 2.9 mp -36.46 -34.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 8' ' ' THR . 1.7 tt0 -43.15 -25.98 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.353 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.59 ' O ' ' CD2' ' A' ' 15' ' ' HIS . 12.0 mm-40 -96.85 -56.36 2.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 0.0 110.264 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.636 ' H ' HD12 ' A' ' 12' ' ' ILE . 4.8 mp -51.21 -38.28 18.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.167 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -59.35 -42.72 92.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 110.337 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.83 -6.19 47.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.812 ' CD2' ' CH2' ' A' ' 22' ' ' TRP . 87.6 m-70 -106.2 45.23 0.99 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.669 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.5 ttpt -110.31 56.83 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 109.286 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.87 154.07 33.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 109.243 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.42 ' O ' ' OG1' ' A' ' 33' ' ' THR . 76.5 p -42.97 -46.41 5.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.973 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -50.09 -56.99 8.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.415 ' O ' ' O ' ' A' ' 15' ' ' HIS . 0.5 OUTLIER -130.71 110.9 11.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.001 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.871 HG23 ' HB2' ' A' ' 50' ' ' ALA . 3.2 m -143.17 118.28 10.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.339 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.812 ' CH2' ' CD2' ' A' ' 15' ' ' HIS . 1.1 m0 -124.47 -178.08 4.01 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.591 HG22 HD21 ' A' ' 32' ' ' LEU . 16.2 m -157.26 110.37 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.516 HG22 ' O ' ' A' ' 52' ' ' GLY . 4.7 tt -57.28 118.99 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.359 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.927 HD12 ' CE1' ' A' ' 30' ' ' TYR . 43.4 mt -100.16 51.79 0.9 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.475 1.11 . . . . 0.0 109.331 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.416 ' O ' ' HE3' ' A' ' 28' ' ' LYS . 0.1 OUTLIER 70.35 70.95 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.615 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.65 ' CE1' ' HA ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER 70.85 36.65 1.47 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.617 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.43 ' HB3' ' HE2' ' A' ' 28' ' ' LYS . 0.6 OUTLIER -170.34 89.07 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.92 HG13 HG12 ' A' ' 76' ' ' ILE . 3.9 p -81.22 145.86 8.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.261 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.931 ' CE2' HD11 ' A' ' 75' ' ' ILE . 5.7 m-85 -122.99 133.92 54.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 110.969 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.643 ' CB ' HG22 ' A' ' 76' ' ' ILE . 7.2 t0 -90.42 88.01 7.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.437 1.085 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.603 HD23 ' O ' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -96.65 17.07 17.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.51 ' HA ' HD12 ' A' ' 36' ' ' LEU . 0.6 OUTLIER -65.5 -18.12 65.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 110.374 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.99 -53.42 4.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.582 1.176 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.59 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -84.22 10.33 10.63 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.508 1.13 . . . . 0.0 110.962 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.51 HD12 ' HA ' ' A' ' 33' ' ' THR . 0.2 OUTLIER -55.53 -45.1 77.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.48 -23.9 53.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.603 1.19 . . . . 0.0 110.287 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -82.8 -4.91 58.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 110.309 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.584 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 33.2 t-80 -86.75 132.7 41.5 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.439 1.087 . . . . 0.0 109.58 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.584 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.5 Cg_endo -74.95 -15.18 21.02 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.443 1.76 . . . . 0.0 111.043 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.583 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -57.37 -81.19 0.07 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.447 1.092 . . . . 0.0 111.035 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.507 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.2 -165.3 30.55 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 9.9 tt0 -122.42 -13.58 8.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.564 0.802 . . . . 0.0 110.282 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -118.36 -1.03 11.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.337 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.507 ' CG1' ' HA3' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -100.05 -30.08 3.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.415 HD11 ' HB3' ' A' ' 39' ' ' HIS . 1.8 mt -75.67 -37.47 59.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.583 ' HB3' HG21 ' A' ' 21' ' ' THR . 5.4 ptm180 -86.9 -22.33 25.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.412 1.07 . . . . 0.0 110.237 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.413 ' HB2' ' HA ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -47.43 -24.79 0.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 110.283 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.465 ' O ' HG12 ' A' ' 23' ' ' VAL . 26.3 mm100 -122.35 33.74 5.37 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.093 . . . . 0.0 110.329 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.871 ' HB2' HG23 ' A' ' 21' ' ' THR . . . -84.78 52.91 2.53 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.19 -35.91 0.03 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.454 1.096 . . . . 0.0 110.977 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.516 ' O ' HG22 ' A' ' 24' ' ' ILE . . . -104.93 -142.15 11.24 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.426 ' HB2' HG22 ' A' ' 55' ' ' THR . 7.6 p-10 -110.0 118.88 37.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 0.728 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.464 ' HB3' ' HB ' ' A' ' 23' ' ' VAL . . . -94.16 -14.52 25.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.615 1.197 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.446 ' O ' ' CG ' ' A' ' 59' ' ' GLU . 0.5 OUTLIER -49.64 -27.02 4.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.575 1.172 . . . . 0.0 110.408 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.81 -45.21 62.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.41 ' O ' ' HB3' ' A' ' 60' ' ' ASP . 83.2 m-20 -83.63 -30.78 26.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.568 ' CD1' ' C ' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -69.1 -39.5 78.93 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.41 1.069 . . . . 0.0 110.994 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.446 ' CG ' ' O ' ' A' ' 55' ' ' THR . 2.6 pp20? -76.44 -23.05 53.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.41 ' HB3' ' O ' ' A' ' 57' ' ' ASN . 3.0 t0 -59.27 -58.19 9.74 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.536 1.147 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -60.08 -19.05 17.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.61 79.68 0.23 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.458 ' ND1' ' O ' ' A' ' 58' ' ' PHE . 61.6 m80 -72.28 133.8 45.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 0.778 . . . . 0.0 109.616 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.473 ' O ' ' HB ' ' A' ' 67' ' ' VAL . 24.9 p -63.84 163.42 11.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.98 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 52.3 m -72.79 -6.57 45.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.427 1.079 . . . . 0.0 110.375 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.402 ' O ' ' CD ' ' A' ' 69' ' ' GLU . 10.4 m-20 -86.19 -7.7 58.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.473 ' HB ' ' O ' ' A' ' 64' ' ' SER . 0.7 OUTLIER -67.5 -32.27 56.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.451 ' NH1' ' HB3' ' A' ' 68' ' ' ARG . 9.8 ttp-105 -60.69 -39.23 87.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 110.326 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.521 ' HG2' HD23 ' A' ' 70' ' ' LEU . 3.2 pt-20 -54.4 -24.71 20.94 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.554 1.159 . . . . 0.0 110.337 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.521 HD23 ' HG2' ' A' ' 69' ' ' GLU . 3.2 mm? -85.06 -56.59 3.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.474 ' HB2' ' CD2' ' A' ' 30' ' ' TYR . 86.1 p -45.06 -28.77 0.75 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.137 . . . . 0.0 109.946 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.42 -34.01 0.48 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.7 m -102.56 -30.91 10.68 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.512 1.132 . . . . 0.0 110.447 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.569 ' CE2' ' CB ' ' A' ' 35' ' ' PHE . 7.2 m-85 -99.96 70.09 1.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.976 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.931 HD11 ' CE2' ' A' ' 30' ' ' TYR . 1.6 mm -138.02 151.65 25.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.92 HG12 HG13 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -122.9 -43.86 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.543 ' CA ' HG21 ' A' ' 4' ' ' VAL . . . 150.07 -115.81 0.74 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.479 1.112 . . . . 0.0 110.975 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -165.25 119.76 1.28 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 0.749 . . . . 0.0 110.293 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.847 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -48.58 162.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.583 ' N ' HD22 ' A' ' 79' ' ' LEU . 7.6 t-80 -41.84 143.01 1.01 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.62 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.65 ' HA ' ' CE1' ' A' ' 27' ' ' HIS . 18.2 Cg_endo -75.06 -29.82 7.73 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.438 1.757 . . . . 0.0 111.026 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.471 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 2.4 t0 -72.28 -39.11 68.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.432 ' CG ' ' HB ' ' A' ' 8' ' ' THR . 3.4 m-20 -77.17 -24.77 51.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.748 ' HB2' HD11 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -65.53 -33.88 76.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.324 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.421 ' N ' ' HD3' ' A' ' 84' ' ' ARG . 28.4 t -77.28 -9.79 59.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.423 1.077 . . . . 0.0 110.019 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -85.86 -27.11 25.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.428 1.08 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.874 HD11 HD21 ' A' ' 9' ' ' LEU . 11.5 mm -63.3 -12.02 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.963 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.595 HG11 ' HG2' ' A' ' 78' ' ' GLU . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.611 ' O ' ' CZ ' ' A' ' 7' ' ' TYR . 0.6 OUTLIER -94.76 136.14 35.42 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.562 1.164 . . . . 0.0 109.239 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -87.95 91.26 8.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.99 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.611 ' CZ ' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -100.22 129.79 46.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 111.015 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.563 HG22 ' HB2' ' A' ' 80' ' ' HIS . 61.9 p -76.88 155.4 32.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.444 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.589 HD23 ' CG1' ' A' ' 87' ' ' ILE . 0.0 OUTLIER -36.59 -35.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.221 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 8' ' ' THR . 3.2 tt0 -40.66 -28.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.281 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.424 ' N ' ' C ' ' A' ' 9' ' ' LEU . 17.3 mm-40 -98.93 -54.69 2.92 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 0.0 110.234 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.664 ' H ' HD12 ' A' ' 12' ' ' ILE . 4.4 mp -53.53 -37.91 32.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.41 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 11.4 pt20 -72.48 -31.42 65.38 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.113 . . . . 0.0 110.329 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.59 -4.96 40.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.397 1.061 . . . . 0.0 109.338 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.671 ' ND1' ' CZ2' ' A' ' 22' ' ' TRP . 15.8 m-70 -114.07 57.16 0.7 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.15 . . . . 0.0 109.594 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.01 55.94 0.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.346 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 20' ' ' SER . 0.2 OUTLIER -143.0 157.18 44.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 68.3 p -50.86 -42.85 59.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 110.03 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.92 -39.2 88.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 17' ' ' ASP . 0.6 OUTLIER -140.07 113.59 8.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.045 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.842 HG21 ' HB3' ' A' ' 47' ' ' ARG . 1.8 m -153.81 118.69 5.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 110.393 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.671 ' CZ2' ' ND1' ' A' ' 15' ' ' HIS . 0.4 OUTLIER -126.92 -179.99 5.11 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.031 -1.099 . . . . 0.0 108.031 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.647 ' HB ' ' HB3' ' A' ' 54' ' ' ALA . 16.1 m -153.76 114.23 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.688 HG22 ' HB ' ' A' ' 29' ' ' VAL . 1.3 pp -67.54 87.91 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.619 HD23 HG23 ' A' ' 23' ' ' VAL . 2.7 pp -114.96 130.81 57.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.529 ' O ' ' CD ' ' A' ' 28' ' ' LYS . 1.5 t60 70.11 31.92 3.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.594 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.471 ' CG ' ' O ' ' A' ' 27' ' ' HIS . 56.0 t60 67.59 7.58 5.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.602 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.529 ' CD ' ' O ' ' A' ' 26' ' ' HIS . 0.2 OUTLIER -134.76 121.28 20.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.346 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.969 HG13 HG12 ' A' ' 76' ' ' ILE . 1.7 p -78.72 151.9 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.348 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.917 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 7.6 m-85 -128.15 127.6 43.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.997 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.654 ' OD1' HG22 ' A' ' 33' ' ' THR . 6.1 t0 -87.79 77.15 8.64 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.644 HD23 ' O ' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -86.83 12.29 11.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.393 1.058 . . . . 0.0 109.305 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.654 HG22 ' OD1' ' A' ' 31' ' ' ASP . 1.2 t -61.41 -15.97 42.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 0.0 110.337 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.26 -52.73 4.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.58 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -87.54 10.26 18.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.587 1.179 . . . . 0.0 111.046 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -55.16 -41.45 71.85 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.48 1.113 . . . . 0.0 109.264 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.6 -24.89 45.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.348 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -83.46 -3.54 57.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.532 1.145 . . . . 0.0 110.335 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.606 ' CE1' ' HA3' ' A' ' 41' ' ' GLY . 32.3 t-80 -85.97 132.07 44.95 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.611 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.581 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.4 Cg_endo -74.99 -13.2 21.49 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.488 1.783 . . . . 0.0 111.033 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.606 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -59.53 -82.05 0.07 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.544 1.153 . . . . 0.0 111.033 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.451 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.15 -163.64 27.87 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.45 ' O ' ' CG ' ' A' ' 43' ' ' GLU . 8.0 tt0 -122.46 -10.69 8.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 110.275 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.402 ' O ' ' HB2' ' A' ' 48' ' ' GLU . 4.5 pm0 -121.24 -1.11 9.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 110.276 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.451 ' CG1' ' HA3' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -100.11 -25.23 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.4 mt -82.22 -33.45 29.3 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.842 ' HB3' HG21 ' A' ' 21' ' ' THR . 0.0 OUTLIER -92.49 -20.02 21.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 110.305 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.402 ' HB2' ' O ' ' A' ' 44' ' ' GLU . 1.8 tm-20 -48.88 -25.21 1.78 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.17 . . . . 0.0 110.306 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.612 ' O ' HG12 ' A' ' 23' ' ' VAL . 23.8 mm-40 -117.67 31.87 6.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.786 ' HB2' HG23 ' A' ' 21' ' ' THR . . . -88.43 60.87 5.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.26 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.13 -38.41 0.03 OUTLIER Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.44 1.087 . . . . 0.0 111.03 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -116.13 -132.07 4.94 Favored Glycine 0 CA--C 1.531 1.059 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.54 ' HB2' HG22 ' A' ' 55' ' ' THR . 4.6 p-10 -109.99 117.12 32.92 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 0.768 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.647 ' HB3' ' HB ' ' A' ' 23' ' ' VAL . . . -90.47 -9.92 45.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.54 HG22 ' HB2' ' A' ' 53' ' ' ASP . 0.1 OUTLIER -49.52 -30.0 7.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.365 1.041 . . . . 0.0 110.369 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.81 -46.12 63.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.3 m-20 -80.81 -30.66 35.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.583 1.177 . . . . 0.0 109.246 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.54 ' CD1' ' C ' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -71.64 -39.68 70.23 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.572 1.17 . . . . 0.0 110.971 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.438 ' CG ' ' O ' ' A' ' 55' ' ' THR . 2.1 pp20? -79.85 -17.02 54.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.285 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -59.9 -53.56 56.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.447 ' CG1' ' CE1' ' A' ' 63' ' ' HIS . 0.5 OUTLIER -66.84 -17.75 23.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.376 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 65.86 78.78 0.22 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.475 1.11 . . . . 0.0 110.986 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.46 ' ND1' ' O ' ' A' ' 58' ' ' PHE . 75.2 m80 -72.49 140.06 48.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.431 0.724 . . . . 0.0 109.609 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.412 ' O ' ' HB ' ' A' ' 67' ' ' VAL . 1.6 t -63.34 169.11 3.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.565 1.166 . . . . 0.0 109.972 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.2 t -73.32 -10.91 60.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.163 . . . . 0.0 110.367 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.478 ' O ' HD23 ' A' ' 70' ' ' LEU . 2.9 m-20 -85.2 -3.77 58.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.15 . . . . 0.0 109.31 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.412 ' HB ' ' O ' ' A' ' 64' ' ' SER . 0.8 OUTLIER -80.8 -23.23 10.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 17.7 ttt-85 -72.68 -30.96 64.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.573 1.171 . . . . 0.0 110.268 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -93.11 7.89 42.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.478 HD23 ' O ' ' A' ' 66' ' ' ASP . 0.3 OUTLIER -80.77 -60.72 2.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.9 m -86.4 69.19 10.4 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.111 . . . . 0.0 109.983 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -76.86 -51.21 11.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.9 m -89.31 -37.27 15.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.42 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.488 ' O ' ' C ' ' A' ' 75' ' ' ILE . 22.5 m-30 -51.73 -46.21 63.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 111.026 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.917 HD11 ' CZ ' ' A' ' 30' ' ' TYR . 1.2 mm -33.86 140.14 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.969 HG12 HG13 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -103.67 -47.73 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.262 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.58 ' HA2' HG21 ' A' ' 4' ' ' VAL . . . 158.36 -112.69 0.54 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.503 1.127 . . . . 0.0 110.951 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.595 ' HG2' HG11 ' A' ' 4' ' ' VAL . 2.4 pt-20 -168.48 119.47 0.78 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.52 0.776 . . . . 0.0 110.315 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.862 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -56.23 163.81 1.51 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.59 ' CE1' ' HB2' ' A' ' 82' ' ' ASP . 3.3 t-80 -42.07 141.02 1.43 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.581 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.556 ' HD2' ' CD2' ' A' ' 80' ' ' HIS . 18.3 Cg_endo -74.97 -28.41 9.25 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.477 1.778 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.59 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 0.5 OUTLIER -76.12 -31.75 58.8 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.407 ' OD2' HD11 ' A' ' 9' ' ' LEU . 2.7 m-20 -86.33 -19.74 29.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.82 ' HB2' HD11 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -70.1 -30.35 67.53 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.534 1.146 . . . . 0.0 110.276 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.408 ' N ' ' HD3' ' A' ' 84' ' ' ARG . 1.0 OUTLIER -87.99 -11.15 48.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.368 1.042 . . . . 0.0 109.98 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.6 mtpt -94.33 -16.33 23.61 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.589 ' CG1' HD23 ' A' ' 9' ' ' LEU . 13.2 mt -68.98 -6.38 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 109.338 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.579 HG21 ' CA ' ' A' ' 77' ' ' GLY . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.48 ' O ' ' CE2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -88.69 139.03 30.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -91.89 90.88 7.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.577 1.173 . . . . 0.0 110.974 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.505 ' O ' ' HA ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -98.03 129.97 44.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 111.022 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.726 HG22 ' HB2' ' A' ' 80' ' ' HIS . 13.2 p -81.2 158.37 24.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.429 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.883 HD21 HD11 ' A' ' 87' ' ' ILE . 0.8 OUTLIER -35.51 -40.59 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 9' ' ' LEU . 4.8 tp10 -34.69 -32.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.274 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.511 ' N ' ' O ' ' A' ' 9' ' ' LEU . 17.6 mm-40 -96.65 -51.95 4.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.495 ' CD1' ' HB3' ' A' ' 79' ' ' LEU . 0.5 OUTLIER -50.66 -38.67 17.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.167 . . . . 0.0 109.345 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.545 ' CG ' ' O ' ' A' ' 9' ' ' LEU . 0.8 OUTLIER -77.18 -25.34 51.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.093 . . . . 0.0 110.348 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -75.19 -13.12 60.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.594 ' ND1' ' CZ2' ' A' ' 22' ' ' TRP . 9.9 m-70 -116.93 55.27 0.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.419 1.075 . . . . 0.0 109.589 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.7 tttm -108.97 64.43 0.61 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -157.25 152.97 26.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.423 1.077 . . . . 0.0 109.291 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 19' ' ' LYS . 8.0 t -39.58 -58.94 1.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.975 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -39.8 -54.28 2.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.31 109.85 7.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 110.021 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.815 HG21 ' HB3' ' A' ' 47' ' ' ARG . 1.6 m -140.94 122.55 15.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.413 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.694 ' O ' HG13 ' A' ' 23' ' ' VAL . 1.4 m0 -120.56 -173.72 2.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 107.997 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.893 HG22 HD21 ' A' ' 32' ' ' LEU . 5.6 m -159.98 111.72 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 109.342 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.755 HD13 ' C ' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -71.61 99.67 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 109.38 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.682 HD11 ' CE1' ' A' ' 30' ' ' TYR . 4.3 pp -118.2 133.59 55.77 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.564 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 0.2 OUTLIER 54.49 35.05 22.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.592 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.564 ' CG ' ' O ' ' A' ' 27' ' ' HIS . 3.6 t60 70.67 8.29 6.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.575 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.564 ' HG2' ' O ' ' A' ' 26' ' ' HIS . 0.0 OUTLIER -124.04 117.15 24.06 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.507 1.129 . . . . 0.0 109.249 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.938 HG13 HG12 ' A' ' 76' ' ' ILE . 5.4 p -88.41 141.92 13.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.586 1.179 . . . . 0.0 109.245 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.682 ' CE1' HD11 ' A' ' 25' ' ' LEU . 28.4 m-85 -124.53 132.87 53.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.093 . . . . 0.0 111.037 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.5 ' CB ' HG22 ' A' ' 76' ' ' ILE . 15.3 t70 -90.67 79.82 6.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.893 HD21 HG22 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -86.8 14.91 6.37 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.535 ' HA ' HD12 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -63.81 -17.86 63.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 110.415 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -90.08 -54.96 3.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.354 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.642 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -85.01 12.03 8.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 111.031 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.535 HD12 ' HA ' ' A' ' 33' ' ' THR . 0.2 OUTLIER -56.46 -40.22 74.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.38 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.65 -19.2 45.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.6 -2.35 58.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.339 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.593 ' CE1' ' HA3' ' A' ' 41' ' ' GLY . 28.5 t-80 -91.29 131.27 37.07 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.574 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.587 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.1 Cg_endo -74.97 -9.84 21.0 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.593 1.839 . . . . 0.0 111.019 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.593 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -61.43 -81.32 0.09 OUTLIER Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.485 1.116 . . . . 0.0 111.055 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.458 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.25 -165.28 30.56 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.455 ' O ' ' CG ' ' A' ' 43' ' ' GLU . 14.0 tt0 -122.71 -10.39 8.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 0.747 . . . . 0.0 110.248 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.564 ' CG ' ' O ' ' A' ' 44' ' ' GLU . 5.0 tt0 -120.68 -2.0 9.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.458 ' CG1' ' HA3' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -99.82 -27.51 3.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.383 1.052 . . . . 0.0 109.333 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.2 mt -79.57 -33.71 41.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.133 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.815 ' HB3' HG21 ' A' ' 21' ' ' THR . 10.0 ptm180 -90.26 -21.54 22.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.258 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -52.37 -29.31 23.3 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -105.41 15.9 26.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 110.258 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.809 ' HB2' HG23 ' A' ' 21' ' ' THR . . . -80.37 54.99 2.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.08 -35.42 0.03 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.473 1.108 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.476 ' O ' ' CG2' ' A' ' 24' ' ' ILE . . . -118.77 -127.43 3.68 Favored Glycine 0 CA--C 1.529 0.969 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 26.3 p-10 -109.64 123.83 50.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 0.747 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.468 ' CB ' ' HB ' ' A' ' 23' ' ' VAL . . . -93.23 -21.4 19.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 109.286 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.589 ' HA ' ' HB3' ' A' ' 58' ' ' PHE . 0.2 OUTLIER -49.53 -47.41 48.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 110.403 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.37 -32.17 4.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.527 ' O ' HG12 ' A' ' 61' ' ' VAL . 6.3 m-20 -100.09 -45.51 5.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.589 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 1.0 OUTLIER -58.57 -39.96 81.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.574 1.171 . . . . 0.0 111.025 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.498 ' HB2' ' O ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -80.72 -19.38 45.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 110.277 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.487 ' HB3' ' O ' ' A' ' 57' ' ' ASN . 0.2 OUTLIER -67.02 -55.57 13.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.527 HG12 ' O ' ' A' ' 57' ' ' ASN . 0.6 OUTLIER -59.82 -18.33 15.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 68.14 78.63 0.29 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.522 1.139 . . . . 0.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.489 ' ND1' ' O ' ' A' ' 58' ' ' PHE . 56.5 m80 -75.5 140.13 42.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 0.752 . . . . 0.0 109.612 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 41.0 t -54.54 157.85 2.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.402 1.064 . . . . 0.0 109.947 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.7 m -78.37 -25.7 46.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 110.413 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -85.19 7.8 20.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -77.43 -25.97 15.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.283 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -59.94 -23.38 63.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 110.348 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -71.65 -21.59 61.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.57 1.169 . . . . 0.0 110.237 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.94 -62.61 1.49 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.217 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 62.3 p -74.85 86.19 2.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.596 1.185 . . . . 0.0 109.987 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.511 ' O ' ' CG1' ' A' ' 75' ' ' ILE . 0.1 OUTLIER -127.71 -43.3 1.56 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.1 m -90.73 -19.81 23.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.354 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.405 ' O ' ' C ' ' A' ' 75' ' ' ILE . 14.5 m-85 -85.81 -36.63 19.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.597 HG22 ' CD2' ' A' ' 30' ' ' TYR . 0.7 OUTLIER -39.15 141.26 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.91 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.938 HG12 HG13 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -103.23 -42.02 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.579 ' CA ' HG21 ' A' ' 4' ' ' VAL . . . 151.62 -116.14 0.74 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -160.74 120.02 2.65 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 0.777 . . . . 0.0 110.311 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.908 HD11 ' HB3' ' A' ' 84' ' ' ARG . 0.0 OUTLIER -54.31 159.3 2.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.263 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.726 ' HB2' HG22 ' A' ' 8' ' ' THR . 2.6 t-80 -35.67 139.11 0.39 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.561 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.549 ' O ' ' HG3' ' A' ' 84' ' ' ARG . 18.3 Cg_endo -75.07 -24.36 12.78 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.526 1.803 . . . . 0.0 110.994 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.7 -17.23 51.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.5 ' HB2' ' CD2' ' A' ' 79' ' ' LEU . 0.5 OUTLIER -89.7 -43.4 10.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.908 ' HB3' HD11 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -59.62 -23.13 62.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 110.334 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.88 -8.98 29.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 109.955 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -82.03 -32.45 30.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.435 1.084 . . . . 0.0 109.351 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.883 HD11 HD21 ' A' ' 9' ' ' LEU . 28.5 mt -69.35 -6.53 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.127 . . . . 0.0 109.243 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.14 . . . . 0.0 109.337 179.971 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.546 HG21 ' CA ' ' A' ' 77' ' ' GLY . 1.1 t . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.675 ' O ' ' CE2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -99.42 141.42 32.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -79.95 101.69 8.77 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.675 ' CE2' ' O ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -103.8 129.84 51.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 111.006 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.812 HG22 ' CB ' ' A' ' 80' ' ' HIS . 44.3 p -81.76 160.89 23.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.395 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 1.027 HD21 HD11 ' A' ' 87' ' ' ILE . 1.0 OUTLIER -34.75 -39.82 0.1 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 9' ' ' LEU . 67.7 tt0 -35.84 -31.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.24 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' A' ' 9' ' ' LEU . 20.0 mm-40 -102.54 -46.67 4.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.323 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.743 HD11 HG11 ' A' ' 29' ' ' VAL . 0.4 OUTLIER -54.88 -36.51 37.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.282 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.529 ' CG ' ' O ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -82.14 -24.74 34.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.596 1.185 . . . . 0.0 110.242 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.88 -30.55 65.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.658 ' ND1' ' CZ2' ' A' ' 22' ' ' TRP . 13.3 m-70 -93.93 58.79 2.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.598 1.186 . . . . 0.0 109.649 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.3 tmtt? -110.2 60.77 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 20' ' ' SER . 3.0 m-20 -155.42 151.0 27.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.255 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.6 t -39.61 -51.11 2.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.024 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.443 ' O ' HG21 ' A' ' 33' ' ' THR . 0.0 OUTLIER -48.8 -46.81 42.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.435 1.084 . . . . 0.0 109.316 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 17' ' ' ASP . 0.3 OUTLIER -140.13 113.15 8.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.133 . . . . 0.0 109.989 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.719 HG23 ' HB2' ' A' ' 50' ' ' ALA . 7.6 m -145.68 116.83 7.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 110.423 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.667 ' O ' HG13 ' A' ' 23' ' ' VAL . 1.1 m0 -121.9 -177.82 3.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 108.009 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.667 HG13 ' O ' ' A' ' 22' ' ' TRP . 10.6 m -159.25 109.85 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.427 1.079 . . . . 0.0 109.361 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.777 HG22 ' O ' ' A' ' 52' ' ' GLY . 0.1 OUTLIER -63.94 109.07 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.475 ' O ' HD12 ' A' ' 25' ' ' LEU . 4.3 pp -132.67 129.54 38.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 31.4 m80 61.92 34.5 16.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 109.591 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.627 ' HA ' HD11 ' A' ' 24' ' ' ILE . 6.4 m80 70.11 2.27 3.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.544 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.41 ' O ' ' O ' ' A' ' 25' ' ' LEU . 0.3 OUTLIER -123.21 117.98 26.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.23 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.952 HG13 HG12 ' A' ' 76' ' ' ILE . 5.5 p -84.99 141.96 13.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 1.125 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 5.1 m-85 -123.18 134.42 54.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 0.0 110.985 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.548 ' HB2' HG22 ' A' ' 76' ' ' ILE . 22.3 t70 -85.42 86.34 7.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.494 HD21 ' CB ' ' A' ' 30' ' ' TYR . 1.3 mt -82.85 12.29 5.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.516 ' HA ' HD12 ' A' ' 36' ' ' LEU . 0.4 OUTLIER -69.78 -18.66 63.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 110.405 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.19 -52.48 4.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.25 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.691 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -89.98 15.75 9.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.968 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.516 HD12 ' HA ' ' A' ' 33' ' ' THR . 0.2 OUTLIER -57.42 -50.36 73.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.348 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.46 -22.75 61.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.446 1.091 . . . . 0.0 110.328 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -82.19 -1.64 49.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 110.248 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.597 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 28.6 t-80 -94.08 131.48 31.52 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.626 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.597 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.3 Cg_endo -74.97 -8.82 20.45 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.502 1.791 . . . . 0.0 111.004 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.567 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -62.65 -80.76 0.11 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.559 1.162 . . . . 0.0 110.957 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.482 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.21 -164.01 28.51 Favored Glycine 0 CA--C 1.531 1.051 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 12.4 tt0 -123.34 -12.57 7.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 0.783 . . . . 0.0 110.304 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -118.77 -7.72 10.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.272 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.482 ' CG1' ' HA3' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -93.61 -27.54 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 109.275 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.407 HD23 ' N ' ' A' ' 46' ' ' LEU . 2.0 mt -77.31 -36.45 54.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.529 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -87.73 -19.68 27.26 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.45 ' O ' ' NE2' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -53.03 -21.97 5.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.313 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.45 ' NE2' ' O ' ' A' ' 48' ' ' GLU . 64.8 mm-40 -124.82 30.21 5.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.31 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.719 ' HB2' HG23 ' A' ' 21' ' ' THR . . . -87.2 57.72 4.62 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -169.99 -36.17 0.03 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.545 1.153 . . . . 0.0 111.016 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.777 ' O ' HG22 ' A' ' 24' ' ' ILE . . . -106.7 -136.17 8.19 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.43 ' O ' ' CG ' ' A' ' 56' ' ' GLU . 25.3 p-10 -109.81 117.23 33.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 0.786 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.576 ' HB3' ' HB ' ' A' ' 23' ' ' VAL . . . -91.42 -19.62 22.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.118 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.444 ' HA ' ' HB3' ' A' ' 58' ' ' PHE . 0.6 OUTLIER -49.78 -29.39 7.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.421 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.43 ' CG ' ' O ' ' A' ' 53' ' ' ASP . 0.1 OUTLIER -68.84 -46.34 68.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.333 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -80.92 -33.4 34.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.578 ' CD1' ' C ' ' A' ' 58' ' ' PHE . 0.7 OUTLIER -66.61 -39.78 88.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 111.008 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.407 ' C ' ' CD ' ' A' ' 59' ' ' GLU . 2.3 pp20? -78.26 -21.61 49.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.255 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -62.64 -56.43 17.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.42 ' H ' HG12 ' A' ' 61' ' ' VAL . 1.1 p -60.17 -21.45 22.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 71.71 77.29 0.54 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.542 1.151 . . . . 0.0 110.959 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.463 ' ND1' ' O ' ' A' ' 58' ' ' PHE . 48.0 m80 -70.31 140.16 52.22 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.493 0.761 . . . . 0.0 109.58 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.422 ' O ' ' HB ' ' A' ' 67' ' ' VAL . 4.5 t -63.46 168.0 4.99 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.471 1.107 . . . . 0.0 110.057 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 11.2 t -73.95 -10.21 59.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.4 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -86.77 -3.6 59.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.461 HG11 ' CZ ' ' A' ' 58' ' ' PHE . 1.2 t -82.6 -37.07 13.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.339 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.7 ttt180 -63.53 -29.43 70.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 110.248 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -90.49 -28.46 18.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 110.257 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.48 -59.88 3.35 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.2 m -75.62 123.65 25.88 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.998 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.89 -64.41 0.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.3 m -77.42 -29.51 53.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.456 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.419 ' O ' ' C ' ' A' ' 75' ' ' ILE . 21.0 m-85 -62.13 -38.24 88.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 1.125 HD11 ' CZ ' ' A' ' 30' ' ' TYR . 0.6 OUTLIER -38.96 140.06 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.536 1.147 . . . . 0.0 109.267 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.952 HG12 HG13 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -99.68 -48.48 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.426 1.079 . . . . 0.0 109.306 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.546 ' CA ' HG21 ' A' ' 4' ' ' VAL . . . 162.25 -111.37 0.47 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.411 1.07 . . . . 0.0 110.975 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -164.36 119.69 1.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 0.736 . . . . 0.0 110.358 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.964 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -61.77 155.27 23.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.168 . . . . 0.0 109.327 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.812 ' CB ' HG22 ' A' ' 8' ' ' THR . 1.8 t-80 -32.32 134.59 0.27 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.562 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -18.5 18.67 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.515 1.798 . . . . 0.0 110.969 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -80.02 -36.77 35.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.67 -28.94 40.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.789 ' HB2' HD11 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -63.06 -35.54 80.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.572 1.17 . . . . 0.0 110.366 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.2 t -85.91 -12.04 51.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.006 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -81.89 -34.78 29.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 1.027 HD11 HD21 ' A' ' 9' ' ' LEU . 14.5 mt -68.89 -11.07 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 87' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.372 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.822 HG21 ' HA3' ' A' ' 77' ' ' GLY . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.64 ' O ' ' CE2' ' A' ' 7' ' ' TYR . 1.0 OUTLIER -93.52 124.7 37.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -80.22 87.61 5.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.64 ' CE2' ' O ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -97.56 129.78 44.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 111.021 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.58 HG22 ' HB2' ' A' ' 80' ' ' HIS . 66.5 p -77.72 164.3 25.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.44 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.7 mp -42.93 -31.02 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.411 ' C ' ' OE1' ' A' ' 11' ' ' GLU . 0.8 OUTLIER -48.39 -23.41 0.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 110.325 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.411 ' OE1' ' C ' ' A' ' 10' ' ' GLU . 3.1 mm-40 -100.48 -54.33 2.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.144 . . . . 0.0 110.353 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.592 ' H ' HD12 ' A' ' 12' ' ' ILE . 4.7 mp -55.06 -33.64 29.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.251 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -56.24 -38.8 71.58 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.72 -8.43 54.15 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.509 1.13 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.801 ' CD2' ' CH2' ' A' ' 22' ' ' TRP . 93.6 m-70 -108.84 46.11 0.99 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 0.0 109.558 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.9 ttmt -110.19 56.69 0.62 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.107 . . . . 0.0 109.256 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 18' ' ' SER . 2.2 t70 -157.31 152.21 25.72 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 17' ' ' ASP . 85.0 p -37.49 -56.32 1.02 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.41 1.069 . . . . 0.0 110.028 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.2 -51.25 6.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.363 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.42 ' O ' ' O ' ' A' ' 15' ' ' HIS . 0.1 OUTLIER -135.61 110.6 8.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.982 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.698 HG23 ' HB2' ' A' ' 50' ' ' ALA . 18.7 m -140.99 117.23 10.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.461 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.801 ' CH2' ' CD2' ' A' ' 15' ' ' HIS . 2.6 m0 -121.76 -175.67 3.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 108.061 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 1.045 HG22 HD21 ' A' ' 32' ' ' LEU . 15.4 m -159.28 108.76 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.411 1.069 . . . . 0.0 109.327 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.807 HG22 ' HB ' ' A' ' 29' ' ' VAL . 1.1 pp -67.99 102.08 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.534 HD23 HG23 ' A' ' 23' ' ' VAL . 3.8 pp -121.09 122.55 40.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.227 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.461 ' O ' ' CD ' ' A' ' 28' ' ' LYS . 2.2 m80 62.6 35.86 14.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.596 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.55 ' CG ' ' O ' ' A' ' 27' ' ' HIS . 1.1 t60 70.24 3.54 4.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.555 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.461 ' CD ' ' O ' ' A' ' 26' ' ' HIS . 0.1 OUTLIER -117.81 109.18 16.25 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.995 HG13 HG12 ' A' ' 76' ' ' ILE . 2.9 p -84.75 138.94 18.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.475 1.109 . . . . 0.0 109.337 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.941 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 4.0 m-85 -119.87 134.26 55.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.968 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.521 ' HA ' ' CD1' ' A' ' 22' ' ' TRP . 14.1 t70 -89.77 77.07 7.12 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.453 1.096 . . . . 0.0 109.221 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 1.045 HD21 HG22 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -82.45 15.83 2.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.457 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 0.5 OUTLIER -64.72 -20.75 66.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.437 1.085 . . . . 0.0 110.425 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -90.19 -52.96 4.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.658 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -85.64 12.01 9.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.165 . . . . 0.0 110.94 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.461 ' HB2' ' O ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -56.27 -42.85 78.09 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.405 1.066 . . . . 0.0 109.274 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -79.27 -22.7 44.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 110.329 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -82.09 -4.39 56.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.286 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.62 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 27.9 t-80 -89.19 131.74 39.85 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 109.603 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.62 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.4 Cg_endo -74.97 -8.17 19.86 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.514 1.797 . . . . 0.0 110.975 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.574 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -63.57 -80.68 0.12 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.473 1.108 . . . . 0.0 110.95 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.486 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.08 -167.75 34.06 Favored Glycine 0 CA--C 1.528 0.899 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.419 ' O ' ' CG ' ' A' ' 43' ' ' GLU . 8.3 tt0 -122.43 -12.18 8.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 0.743 . . . . 0.0 110.371 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.558 ' CG ' ' O ' ' A' ' 44' ' ' GLU . 6.2 tt0 -118.46 -2.6 11.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.342 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.486 ' CG1' ' HA3' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -99.94 -30.94 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.374 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.2 mt -73.83 -36.38 64.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.157 . . . . 0.0 109.277 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.678 ' HB3' HG21 ' A' ' 21' ' ' THR . 8.1 ptm180 -86.81 -26.67 23.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 110.329 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.432 ' HB2' ' O ' ' A' ' 44' ' ' GLU . 0.5 OUTLIER -51.08 -21.13 1.71 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 110.341 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.499 ' HB2' ' HB2' ' A' ' 54' ' ' ALA . 8.1 mt-30 -120.89 27.68 8.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.413 1.07 . . . . 0.0 110.263 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.698 ' HB2' HG23 ' A' ' 21' ' ' THR . . . -90.58 60.46 4.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.251 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.09 -37.11 0.03 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.483 1.115 . . . . 0.0 110.953 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.421 ' O ' HG13 ' A' ' 24' ' ' ILE . . . -112.26 -135.94 6.65 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -109.82 120.52 42.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.418 0.717 . . . . 0.0 109.272 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.499 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . . . -98.68 -14.24 19.91 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.454 1.097 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.467 ' O ' ' CG ' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -49.61 -28.42 5.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.428 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -71.04 -41.94 70.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.147 . . . . 0.0 110.328 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.442 ' HB2' ' OE1' ' A' ' 49' ' ' GLN . 2.5 m120 -84.5 -35.11 23.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.524 ' CD1' ' C ' ' A' ' 58' ' ' PHE . 1.6 t80 -66.16 -39.6 89.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.084 . . . . 0.0 110.968 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.467 ' CG ' ' O ' ' A' ' 55' ' ' THR . 2.1 pp20? -78.91 -22.08 46.41 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.517 1.136 . . . . 0.0 110.294 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.404 ' HB3' ' O ' ' A' ' 57' ' ' ASN . 0.4 OUTLIER -61.36 -56.48 19.9 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.456 1.097 . . . . 0.0 109.272 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -59.85 -16.6 11.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.338 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 65.0 80.74 0.14 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.509 1.13 . . . . 0.0 111.029 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.523 ' HB3' HG21 ' A' ' 67' ' ' VAL . 54.0 m80 -69.93 139.89 52.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.421 0.718 . . . . 0.0 109.639 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.55 167.8 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.09 . . . . 0.0 109.987 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 22.1 p -76.08 -16.7 59.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 110.408 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -89.47 8.23 32.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.523 HG21 ' HB3' ' A' ' 63' ' ' HIS . 0.3 OUTLIER -78.53 -30.15 15.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.448 ' HG3' ' N ' ' A' ' 69' ' ' GLU . 4.3 ptt180 -65.36 -27.57 68.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.255 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.448 ' N ' ' HG3' ' A' ' 68' ' ' ARG . 13.9 pt-20 -100.18 17.49 21.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.79 -64.72 1.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 74.6 m -89.86 96.35 10.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.034 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.88 -63.26 1.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.5 m -71.64 -38.21 70.77 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.522 1.139 . . . . 0.0 110.423 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.443 ' O ' ' C ' ' A' ' 75' ' ' ILE . 18.2 m-85 -54.55 -41.2 69.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.574 1.171 . . . . 0.0 111.028 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.941 HD11 ' CZ ' ' A' ' 30' ' ' TYR . 1.1 mm -35.88 142.49 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.995 HG12 HG13 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -106.78 -43.96 7.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.096 . . . . 0.0 109.271 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.822 ' HA3' HG21 ' A' ' 4' ' ' VAL . . . 155.87 -110.89 0.46 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.454 1.096 . . . . 0.0 111.016 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.434 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 4.1 pt-20 -170.04 119.74 0.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 0.78 . . . . 0.0 110.356 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.995 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -60.64 152.83 25.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.275 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.627 ' N ' HD22 ' A' ' 79' ' ' LEU . 2.0 t-80 -31.08 137.39 0.2 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.654 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 80' ' ' HIS . 18.0 Cg_endo -75.09 -19.16 17.94 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.527 1.804 . . . . 0.0 110.973 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -79.99 -45.42 18.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.42 ' O ' ' HB2' ' A' ' 86' ' ' LYS . 0.4 OUTLIER -66.65 -32.79 74.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.286 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.85 ' HB2' HD11 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -64.81 -39.57 93.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.327 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 47.6 t -87.27 -4.72 59.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 110.0 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.42 ' HB2' ' O ' ' A' ' 83' ' ' ASP . 1.3 mttt -71.23 -41.88 69.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.414 ' O ' ' CG2' ' A' ' 87' ' ' ILE . 21.6 mt -84.9 -7.26 10.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.423 1.077 . . . . 0.0 109.334 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.337 179.955 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.589 HG21 ' CA ' ' A' ' 77' ' ' GLY . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.552 ' O ' ' CE2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -86.43 135.9 33.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -89.74 93.27 9.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 111.058 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.552 ' CE2' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -98.88 129.84 45.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 110.993 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.826 HG22 ' HB2' ' A' ' 80' ' ' HIS . 19.9 p -84.19 158.26 21.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.404 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.57 HD11 HD11 ' A' ' 87' ' ' ILE . 1.5 mp -35.21 -35.87 0.05 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.555 1.16 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.471 ' O ' ' HB2' ' A' ' 14' ' ' LYS . 3.4 tt0 -36.43 -29.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 110.334 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.533 ' N ' ' O ' ' A' ' 9' ' ' LEU . 3.8 mm-40 -101.43 -54.43 2.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 0.0 110.26 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.547 HD11 ' HB2' ' A' ' 79' ' ' LEU . 3.1 mp -48.14 -40.0 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.243 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.569 ' CG ' ' O ' ' A' ' 9' ' ' LEU . 1.4 pt20 -76.09 -27.73 57.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.362 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.471 ' HB2' ' O ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -75.26 -13.96 60.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.647 ' ND1' ' CZ2' ' A' ' 22' ' ' TRP . 12.7 m-70 -111.7 59.74 0.62 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.621 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -110.11 48.83 0.88 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 18' ' ' SER . 6.7 t0 -142.33 145.32 33.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 17' ' ' ASP . 56.2 p -37.33 -49.4 0.97 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.046 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.44 -55.16 4.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.239 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.25 111.26 7.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.974 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.815 HG21 ' HB3' ' A' ' 47' ' ' ARG . 1.9 m -139.16 127.76 23.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.09 . . . . 0.0 110.438 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.647 ' CZ2' ' ND1' ' A' ' 15' ' ' HIS . 1.2 m0 -125.44 -177.62 3.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 108.021 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 1.075 HG22 HD21 ' A' ' 32' ' ' LEU . 27.9 m -158.51 110.66 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.435 HG22 ' HB ' ' A' ' 29' ' ' VAL . 0.9 OUTLIER -67.84 120.4 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.282 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 28' ' ' LYS . 3.2 pp -141.21 150.27 42.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 7.8 t60 44.27 28.49 0.29 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.605 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.411 ' C ' ' HG2' ' A' ' 28' ' ' LYS . 8.6 m-70 69.79 42.4 1.07 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 109.538 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 25' ' ' LEU . 2.5 ptpt -160.65 120.49 2.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.323 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.867 HG13 HG12 ' A' ' 76' ' ' ILE . 6.0 p -82.89 138.52 19.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 0.0 109.267 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 1.09 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 5.6 m-85 -119.2 136.76 54.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 111.03 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.558 ' HB2' HG22 ' A' ' 76' ' ' ILE . 18.9 t0 -90.47 77.32 6.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 1.075 HD21 HG22 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -88.09 21.35 2.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.553 HG22 ' OD1' ' A' ' 31' ' ' ASP . 1.0 OUTLIER -71.34 -23.68 61.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.425 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.407 ' CE ' ' HA ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -86.32 -50.53 6.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.65 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -86.26 11.68 11.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.085 . . . . 0.0 111.048 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.449 ' CD1' ' HA ' ' A' ' 33' ' ' THR . 0.2 OUTLIER -59.5 -44.97 92.97 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.555 1.16 . . . . 0.0 109.334 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.52 -24.07 50.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.402 1.064 . . . . 0.0 110.276 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -81.2 -8.23 59.72 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.543 1.152 . . . . 0.0 110.283 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.599 ' CE1' ' HA3' ' A' ' 41' ' ' GLY . 34.6 t-80 -85.38 132.78 43.93 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.586 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.582 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.4 Cg_endo -74.99 -14.2 21.22 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.469 1.773 . . . . 0.0 110.988 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.599 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -57.94 -79.65 0.1 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.606 1.191 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.469 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.21 -166.27 32.04 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.436 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 10.6 tt0 -120.06 -14.26 8.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 0.755 . . . . 0.0 110.263 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.534 ' HA ' ' CG ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -113.88 -27.87 7.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 110.299 -179.93 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.495 ' HA ' ' HB2' ' A' ' 48' ' ' GLU . 0.2 OUTLIER -69.39 -42.53 81.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.552 1.157 . . . . 0.0 109.349 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.439 ' N ' HD23 ' A' ' 46' ' ' LEU . 1.3 mt -61.86 -49.73 75.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.353 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.815 ' HB3' HG21 ' A' ' 21' ' ' THR . 0.8 OUTLIER -74.75 -24.73 58.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.405 1.066 . . . . 0.0 110.277 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.495 ' HB2' ' HA ' ' A' ' 45' ' ' VAL . 0.7 OUTLIER -43.66 -28.31 0.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.39 1.056 . . . . 0.0 110.285 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.675 ' CB ' ' HB2' ' A' ' 54' ' ' ALA . 94.1 mm-40 -118.5 40.23 3.27 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.513 1.133 . . . . 0.0 110.25 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.757 ' HB2' HG23 ' A' ' 21' ' ' THR . . . -97.81 57.87 1.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 0.0 109.307 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.13 -36.17 0.03 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -117.14 -128.85 4.15 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 41.0 p-10 -109.91 122.77 48.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 0.75 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.675 ' HB2' ' CB ' ' A' ' 49' ' ' GLN . . . -103.27 -12.97 16.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.237 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.477 ' O ' ' CG ' ' A' ' 59' ' ' GLU . 0.9 OUTLIER -49.56 -29.9 7.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 110.352 -179.938 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.0 -43.93 66.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.3 m-20 -81.56 -31.33 32.72 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.423 1.077 . . . . 0.0 109.303 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.622 ' CD1' ' CE1' ' A' ' 63' ' ' HIS . 11.9 t80 -71.85 -39.67 69.55 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 110.987 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.477 ' CG ' ' O ' ' A' ' 55' ' ' THR . 2.2 pp20? -82.6 -15.1 53.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -57.95 -52.45 65.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.155 . . . . 0.0 109.259 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.451 HG12 ' H ' ' A' ' 61' ' ' VAL . 0.5 OUTLIER -66.76 -16.99 21.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.333 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.28 80.52 0.19 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.622 ' CE1' ' CD1' ' A' ' 58' ' ' PHE . 67.3 m80 -76.41 139.42 40.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 0.773 . . . . 0.0 109.578 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.418 ' O ' ' HB ' ' A' ' 67' ' ' VAL . 3.4 t -68.33 157.86 34.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.002 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 69.9 p -55.8 -17.24 5.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.412 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -73.32 -17.43 61.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.619 HG21 ' CD2' ' A' ' 63' ' ' HIS . 0.4 OUTLIER -69.96 -29.8 41.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.415 1.072 . . . . 0.0 109.357 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.1 tpp180 -64.04 -37.69 88.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -95.88 27.56 3.5 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 0.0 110.324 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.61 -57.6 2.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.351 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.4 p -94.54 70.88 3.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 110.021 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -81.24 -56.75 3.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.9 m -72.63 -45.39 59.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.39 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.478 ' O ' ' C ' ' A' ' 75' ' ' ILE . 20.1 m-85 -50.58 -43.76 56.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 110.949 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 1.09 HD11 ' CZ ' ' A' ' 30' ' ' TYR . 0.7 OUTLIER -33.87 139.87 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.867 HG12 HG13 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -105.43 -49.39 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.589 ' CA ' HG21 ' A' ' 4' ' ' VAL . . . 163.0 -112.8 0.53 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.538 1.149 . . . . 0.0 110.945 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -164.31 119.37 1.48 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 0.747 . . . . 0.0 110.298 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.904 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -52.07 157.73 1.25 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.826 ' HB2' HG22 ' A' ' 8' ' ' THR . 5.1 t-80 -33.98 141.66 0.23 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.632 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.447 ' HD2' ' CG ' ' A' ' 80' ' ' HIS . 18.4 Cg_endo -75.02 -30.39 7.19 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.493 1.786 . . . . 0.0 110.991 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.419 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 2.0 t0 -70.47 -47.08 62.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.543 1.152 . . . . 0.0 109.237 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.417 ' CG ' ' HB ' ' A' ' 8' ' ' THR . 1.0 OUTLIER -65.2 -34.0 77.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.718 ' HB2' HD11 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -60.02 -37.74 80.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.265 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.416 ' N ' ' HD3' ' A' ' 84' ' ' ARG . 41.0 t -77.48 -12.68 59.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.984 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.1 mtpt -93.53 -13.96 27.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.57 HD11 HD11 ' A' ' 9' ' ' LEU . 33.4 mt -71.23 -4.54 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.348 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.961 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.743 HG21 ' HA3' ' A' ' 77' ' ' GLY . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.628 ' O ' ' CE2' ' A' ' 7' ' ' TYR . 1.3 ttpt -86.31 120.37 27.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -74.11 58.3 0.69 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.435 1.084 . . . . 0.0 110.967 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.628 ' CE2' ' O ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -64.14 129.81 41.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.993 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.712 HG22 ' HB2' ' A' ' 80' ' ' HIS . 44.9 p -78.4 156.31 29.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.165 . . . . 0.0 110.382 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.543 HD12 ' N ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -37.87 -32.03 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 8' ' ' THR . 0.4 OUTLIER -43.33 -29.97 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 110.276 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -97.75 -52.63 3.68 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.44 1.087 . . . . 0.0 110.287 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.58 HD13 ' HB2' ' A' ' 79' ' ' LEU . 3.6 mp -53.31 -38.92 33.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.42 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 5.1 pt20 -72.86 -27.64 62.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.05 -6.02 39.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.221 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.663 ' ND1' ' CZ2' ' A' ' 22' ' ' TRP . 10.7 m-70 -118.52 59.81 0.81 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.599 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.38 64.05 0.61 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.543 1.152 . . . . 0.0 109.331 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -149.99 165.56 32.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.235 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 76.6 p -61.24 -36.18 79.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.94 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.6 -49.88 71.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.582 1.176 . . . . 0.0 109.32 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.99 105.95 7.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.968 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.487 HG23 ' CB ' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -141.4 128.83 21.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.442 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.663 ' CZ2' ' ND1' ' A' ' 15' ' ' HIS . 1.9 m0 -125.41 -175.02 3.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 107.979 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.705 HG23 HD23 ' A' ' 25' ' ' LEU . 10.6 m -157.16 110.26 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.738 HG22 ' HB ' ' A' ' 29' ' ' VAL . 1.3 pp -69.78 94.71 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.438 1.086 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.705 HD23 HG23 ' A' ' 23' ' ' VAL . 2.9 pp -117.94 142.91 46.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.2 m170 53.51 32.78 14.8 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.538 1.149 . . . . 0.0 109.631 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.534 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 19.1 t-160 69.41 7.62 6.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.566 1.166 . . . . 0.0 109.613 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.442 ' O ' ' O ' ' A' ' 25' ' ' LEU . 4.8 mttm -126.63 122.64 35.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.324 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.98 HG13 HG12 ' A' ' 76' ' ' ILE . 2.8 p -85.01 139.1 17.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.896 ' CE2' HD11 ' A' ' 75' ' ' ILE . 4.3 m-85 -120.35 130.03 54.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 111.018 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.62 ' CB ' HG22 ' A' ' 76' ' ' ILE . 6.0 t0 -88.22 85.09 6.87 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.531 HD23 ' C ' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -94.39 20.47 8.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -67.29 -16.22 64.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 110.438 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -90.22 -52.48 4.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.584 ' CZ ' ' HB2' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -83.13 6.35 19.49 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.486 HD11 ' CG2' ' A' ' 21' ' ' THR . 0.2 OUTLIER -54.36 -37.76 65.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.241 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -82.99 -20.07 35.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.303 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -84.61 -9.93 57.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.295 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.589 ' CE1' ' HA3' ' A' ' 41' ' ' GLY . 33.3 t-80 -82.81 132.59 50.98 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.635 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.586 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.4 Cg_endo -74.91 -17.04 20.1 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.552 1.817 . . . . 0.0 111.019 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.589 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -54.64 -80.72 0.07 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.519 1.137 . . . . 0.0 111.029 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.484 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -173.93 -167.89 34.15 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 16.0 tt0 -121.91 -13.65 8.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 0.763 . . . . 0.0 110.296 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -117.22 -1.25 11.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.489 HG22 HD23 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -100.45 -32.85 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.489 HD23 HG22 ' A' ' 45' ' ' VAL . 6.3 mt -70.04 -47.14 63.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.519 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -75.61 -27.92 58.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.273 -179.91 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -44.99 -35.09 2.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.563 1.165 . . . . 0.0 110.298 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.406 ' O ' ' HB2' ' A' ' 54' ' ' ALA . 11.7 mm100 -115.06 29.98 7.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.581 1.175 . . . . 0.0 110.365 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.519 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -99.29 67.63 1.58 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.09 -37.03 0.03 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.458 1.099 . . . . 0.0 111.022 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.408 ' O ' ' CG1' ' A' ' 24' ' ' ILE . . . -118.23 -121.22 3.07 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.418 ' OD1' ' HG2' ' A' ' 56' ' ' GLU . 11.6 t70 -109.85 115.67 30.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 0.754 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 49' ' ' GLN . . . -105.36 -21.24 13.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.346 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.473 ' HB ' ' CB ' ' A' ' 25' ' ' LEU . 0.3 OUTLIER -49.54 -21.9 1.1 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 110.42 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.461 ' HG3' ' N ' ' A' ' 57' ' ' ASN . 1.0 OUTLIER -80.55 -36.04 33.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 110.249 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.461 ' N ' ' HG3' ' A' ' 56' ' ' GLU . 5.0 m-20 -90.2 -28.08 19.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.687 ' CD1' ' CE1' ' A' ' 63' ' ' HIS . 10.6 t80 -71.78 -39.23 70.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.418 1.074 . . . . 0.0 110.979 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.434 ' CG ' ' O ' ' A' ' 55' ' ' THR . 2.4 pp20? -79.38 -18.73 51.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.269 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.4 ' HB3' ' O ' ' A' ' 57' ' ' ASN . 12.8 t70 -52.0 -54.44 29.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.453 ' H ' HG12 ' A' ' 61' ' ' VAL . 0.5 OUTLIER -63.83 -19.09 23.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 72.58 78.62 0.5 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.547 1.154 . . . . 0.0 111.025 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.687 ' CE1' ' CD1' ' A' ' 58' ' ' PHE . 58.2 m80 -77.66 135.51 38.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 0.784 . . . . 0.0 109.591 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.48 ' O ' ' HB ' ' A' ' 67' ' ' VAL . 23.5 t -80.39 156.39 26.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.951 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 94.7 m -50.55 -17.46 0.51 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.399 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.429 ' N ' ' C ' ' A' ' 64' ' ' SER . 1.0 OUTLIER -67.09 -9.8 43.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.247 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.48 ' HB ' ' O ' ' A' ' 64' ' ' SER . 0.5 OUTLIER -77.05 -33.87 21.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.306 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 60.6 ttt-85 -54.59 -41.2 69.61 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.513 1.133 . . . . 0.0 110.227 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.409 ' HG2' ' N ' ' A' ' 70' ' ' LEU . 4.2 pt-20 -59.7 -31.33 69.49 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.52 1.138 . . . . 0.0 110.265 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.409 ' N ' ' HG2' ' A' ' 69' ' ' GLU . 2.8 mm? -71.38 -45.95 61.56 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.544 1.153 . . . . 0.0 109.348 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.18 75.92 10.14 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.468 1.105 . . . . 0.0 109.921 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -118.37 -50.82 2.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.343 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.439 HG22 ' CD1' ' A' ' 74' ' ' TYR . 0.5 OUTLIER -99.2 -20.17 16.75 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 110.417 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.439 ' CD1' HG22 ' A' ' 73' ' ' THR . 8.8 m-85 -86.04 40.43 0.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 111.065 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.896 HD11 ' CE2' ' A' ' 30' ' ' TYR . 1.4 mm -110.6 154.26 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 109.301 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.98 HG12 HG13 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -122.88 -42.34 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.583 1.177 . . . . 0.0 109.253 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.743 ' HA3' HG21 ' A' ' 4' ' ' VAL . . . 150.63 -114.51 0.65 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.498 1.124 . . . . 0.0 111.035 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -164.08 119.67 1.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.772 . . . . 0.0 110.274 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.859 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -58.95 162.97 3.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.57 1.169 . . . . 0.0 109.299 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.712 ' HB2' HG22 ' A' ' 8' ' ' THR . 4.7 t-80 -40.15 143.42 0.62 Allowed Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.557 1.16 . . . . 0.0 109.629 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.54 ' HD2' ' CG ' ' A' ' 80' ' ' HIS . 18.2 Cg_endo -75.05 -35.47 3.08 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.601 1.843 . . . . 0.0 111.015 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.596 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 1.1 m-20 -70.56 -38.95 74.21 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.408 ' OD2' HD11 ' A' ' 9' ' ' LEU . 3.0 m-20 -76.62 -20.57 56.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.804 ' HB2' HD11 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -72.13 -31.55 66.1 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.116 . . . . 0.0 110.327 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.11 -5.06 55.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.157 . . . . 0.0 109.987 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.4 -37.07 44.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.595 1.184 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.422 ' O ' ' C ' ' A' ' 88' ' ' ALA . 20.7 mt -69.21 -15.17 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 87' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.253 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.407 HG11 ' HG2' ' A' ' 78' ' ' GLU . 2.2 t . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.608 ' O ' ' CZ ' ' A' ' 7' ' ' TYR . 0.1 OUTLIER -105.36 136.26 45.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -87.11 93.25 9.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.971 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.608 ' CZ ' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -103.62 129.89 50.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 110.998 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.595 HG22 ' HB2' ' A' ' 80' ' ' HIS . 69.1 p -77.29 158.98 29.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.421 1.075 . . . . 0.0 110.371 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.537 ' CD1' HD23 ' A' ' 79' ' ' LEU . 2.2 mp -41.0 -32.53 0.24 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.514 1.134 . . . . 0.0 109.36 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.404 ' N ' ' C ' ' A' ' 8' ' ' THR . 2.8 tt0 -47.29 -22.92 0.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.567 ' O ' ' CD2' ' A' ' 15' ' ' HIS . 9.7 mm-40 -97.29 -56.03 2.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 110.296 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.7 mp -54.06 -38.53 38.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.401 ' OE1' ' HA ' ' A' ' 13' ' ' GLN . 56.3 mm-40 -58.36 -44.28 88.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.3 -9.39 58.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.077 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.797 ' CD2' ' CH2' ' A' ' 22' ' ' TRP . 90.5 m-70 -97.51 36.27 1.52 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.619 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.29 44.73 1.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.289 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -118.71 169.96 9.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.95 63.46 6.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 110.012 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -170.22 -41.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.614 1.196 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.509 ' HA ' HG21 ' A' ' 33' ' ' THR . 0.3 OUTLIER -135.04 68.91 1.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.989 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.958 HG21 ' HB3' ' A' ' 47' ' ' ARG . 1.3 m -102.24 116.73 33.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 110.431 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.797 ' CH2' ' CD2' ' A' ' 15' ' ' HIS . 6.8 m0 -108.18 -173.8 2.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 108.063 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.698 HG13 ' O ' ' A' ' 22' ' ' TRP . 2.9 m -160.13 107.36 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.908 HG22 ' O ' ' A' ' 52' ' ' GLY . 1.1 tt -65.16 130.49 30.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.346 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.555 ' O ' HD12 ' A' ' 25' ' ' LEU . 4.0 pp -151.35 118.01 5.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 67.92 35.81 3.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 0.0 109.614 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.559 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 3.1 t-80 68.06 6.82 5.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.584 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.41 ' HD3' ' N ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -120.13 112.93 19.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 109.328 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.942 HG13 HG12 ' A' ' 76' ' ' ILE . 6.2 p -83.83 139.48 17.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.853 ' CE2' HD11 ' A' ' 75' ' ' ILE . 4.9 m-85 -118.69 141.58 48.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.555 1.159 . . . . 0.0 110.982 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.612 ' CB ' HG22 ' A' ' 76' ' ' ILE . 3.2 t0 -99.04 87.55 3.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.255 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.654 HD11 HG21 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -102.88 32.65 3.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.103 . . . . 0.0 109.248 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.622 HG22 ' O ' ' A' ' 21' ' ' THR . 1.2 p -75.75 -19.21 59.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.404 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.02 -51.69 5.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.614 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -83.07 7.49 15.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 111.014 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.434 HD12 ' O ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -55.93 -40.34 72.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.06 -19.85 39.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 110.292 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -85.32 -6.04 59.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.56 1.162 . . . . 0.0 110.284 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.601 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 26.1 t-80 -85.32 130.26 52.36 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.586 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.601 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.2 Cg_endo -75.01 0.29 9.09 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.513 1.796 . . . . 0.0 111.039 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.582 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -73.31 -80.26 0.45 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.472 1.108 . . . . 0.0 110.998 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.476 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.19 -168.43 35.05 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.427 ' O ' ' CG ' ' A' ' 43' ' ' GLU . 12.6 tt0 -121.83 -11.54 8.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 0.783 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.547 ' CG ' ' O ' ' A' ' 44' ' ' GLU . 5.2 tt0 -119.12 -2.41 10.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.506 HG22 HD23 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -100.09 -29.09 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.328 179.923 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.506 HD23 HG22 ' A' ' 45' ' ' VAL . 1.7 mt -76.17 -34.5 59.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.958 ' HB3' HG21 ' A' ' 21' ' ' THR . 5.5 ptm180 -88.38 -24.67 23.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.413 1.071 . . . . 0.0 110.302 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -47.06 -23.79 0.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.21 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.406 ' N ' ' C ' ' A' ' 47' ' ' ARG . 93.9 mm-40 -121.64 33.92 5.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 110.349 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.814 ' HB2' HG23 ' A' ' 21' ' ' THR . . . -88.92 49.46 1.79 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 109.336 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.44 -32.78 0.02 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.571 1.169 . . . . 0.0 111.063 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.908 ' O ' HG22 ' A' ' 24' ' ' ILE . . . -108.02 -137.7 8.34 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.408 ' OD1' ' N ' ' A' ' 53' ' ' ASP . 6.6 p-10 -109.71 119.36 39.15 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 0.761 . . . . 0.0 109.276 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -95.91 -17.46 21.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.485 ' HA ' ' HB3' ' A' ' 58' ' ' PHE . 0.5 OUTLIER -49.65 -35.93 23.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.405 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.63 -47.82 82.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.312 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.443 ' O ' HG12 ' A' ' 61' ' ' VAL . 90.2 m-20 -78.46 -35.49 46.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.113 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.569 ' CD1' ' C ' ' A' ' 58' ' ' PHE . 0.7 OUTLIER -65.89 -39.52 90.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 111.038 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.414 ' C ' ' CD ' ' A' ' 59' ' ' GLU . 1.8 pp20? -80.3 -19.98 45.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 110.374 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.17 -56.17 16.66 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.484 1.115 . . . . 0.0 109.353 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.443 HG12 ' O ' ' A' ' 57' ' ' ASN . 0.8 OUTLIER -59.99 -19.58 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.09 . . . . 0.0 109.313 179.93 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.95 78.23 0.3 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.461 1.101 . . . . 0.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.465 ' ND1' ' O ' ' A' ' 58' ' ' PHE . 53.8 m80 -71.44 140.08 49.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 0.771 . . . . 0.0 109.551 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.416 ' O ' ' HB ' ' A' ' 67' ' ' VAL . 0.4 OUTLIER -62.35 159.19 15.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.117 . . . . 0.0 109.966 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 52.0 m -68.57 -7.14 29.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.346 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.779 ' O ' HD23 ' A' ' 70' ' ' LEU . 27.5 m-20 -93.39 7.77 43.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.422 1.076 . . . . 0.0 109.233 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.416 ' HB ' ' O ' ' A' ' 64' ' ' SER . 0.4 OUTLIER -89.16 -33.63 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.42 -35.19 67.55 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.438 1.086 . . . . 0.0 110.307 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 66' ' ' ASP . 6.2 pt-20 -82.17 -26.99 32.93 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.105 . . . . 0.0 110.257 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.779 HD23 ' O ' ' A' ' 66' ' ' ASP . 0.9 OUTLIER -52.67 -70.99 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 109.246 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 57.5 p -72.91 59.22 0.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.995 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.37 -45.6 11.74 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.589 1.18 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.7 m -93.69 -10.69 33.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.36 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 18.3 m-30 -90.88 18.26 6.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 111.032 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.853 HD11 ' CE2' ' A' ' 30' ' ' TYR . 1.5 mm -88.48 151.31 3.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.942 HG12 HG13 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -118.66 -43.61 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.339 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 149.59 -116.6 0.8 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.489 1.118 . . . . 0.0 110.961 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.407 ' HG2' HG11 ' A' ' 4' ' ' VAL . 6.6 pt-20 -165.43 119.64 1.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 0.777 . . . . 0.0 110.25 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.9 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -50.06 159.06 0.46 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.595 ' HB2' HG22 ' A' ' 8' ' ' THR . 3.4 t-80 -34.93 140.26 0.3 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.465 1.103 . . . . 0.0 109.562 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 80' ' ' HIS . 18.2 Cg_endo -75.08 -24.01 13.1 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.427 1.751 . . . . 0.0 110.925 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.441 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 0.9 OUTLIER -76.9 -40.48 47.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.095 . . . . 0.0 109.3 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.433 ' HB2' ' CD2' ' A' ' 79' ' ' LEU . 1.2 m-20 -75.2 -26.11 58.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.709 ' HB2' HD11 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -64.75 -32.87 74.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.288 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 10.7 t -84.64 -11.15 56.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.17 . . . . 0.0 110.031 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 6.5 mttp -74.73 -35.28 62.67 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.466 ' O ' ' C ' ' A' ' 88' ' ' ALA . 9.3 mt -62.17 -14.66 12.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.466 ' C ' ' O ' ' A' ' 87' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.358 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.763 HG21 ' CA ' ' A' ' 77' ' ' GLY . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.635 ' O ' ' CE2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -87.8 131.16 34.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.295 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -86.6 86.91 7.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 111.029 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.635 ' CE2' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -94.78 129.81 41.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.978 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.476 ' HB ' ' OD2' ' A' ' 83' ' ' ASP . 39.7 p -75.57 156.33 35.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.411 1.07 . . . . 0.0 110.443 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.614 HD11 ' OD1' ' A' ' 83' ' ' ASP . 0.2 OUTLIER -43.4 -26.24 0.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.432 1.082 . . . . 0.0 109.278 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.439 ' H ' HD12 ' A' ' 9' ' ' LEU . 3.8 tt0 -47.09 -29.76 2.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.634 ' O ' ' CD2' ' A' ' 15' ' ' HIS . 14.1 mm-40 -96.34 -53.95 3.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.274 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.544 ' H ' HD12 ' A' ' 12' ' ' ILE . 4.3 mp -53.48 -39.12 35.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -68.36 -36.51 79.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 110.273 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -75.04 -9.57 58.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.808 ' CD2' ' CH2' ' A' ' 22' ' ' TRP . 93.4 m-70 -100.92 55.23 0.85 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.587 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -110.09 54.98 0.65 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -138.24 151.63 47.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 48.8 p -51.96 -31.65 30.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.002 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.467 ' O ' HG21 ' A' ' 33' ' ' THR . 3.9 ptmt -71.1 -38.61 72.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.603 1.189 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.2 102.52 4.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.569 1.168 . . . . 0.0 109.967 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.848 HG23 ' CB ' ' A' ' 50' ' ' ALA . 2.3 m -139.99 117.67 11.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.414 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.808 ' CH2' ' CD2' ' A' ' 15' ' ' HIS . 0.8 OUTLIER -124.68 178.48 5.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 107.909 -179.933 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.767 ' HB ' ' HB3' ' A' ' 54' ' ' ALA . 6.2 m -153.64 111.02 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.614 1.196 . . . . 0.0 109.267 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.717 HG22 ' HB ' ' A' ' 29' ' ' VAL . 1.4 pp -63.38 102.89 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.608 HD23 HG23 ' A' ' 23' ' ' VAL . 2.8 pp -133.19 132.36 41.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.474 1.109 . . . . 0.0 109.407 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.602 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 0.1 OUTLIER 70.09 29.51 3.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.585 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.602 ' CD2' ' O ' ' A' ' 26' ' ' HIS . 0.0 OUTLIER 70.19 6.14 5.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.586 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.539 ' HD2' ' CD2' ' A' ' 27' ' ' HIS . 0.1 OUTLIER -134.34 122.86 23.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.89 HG13 HG12 ' A' ' 76' ' ' ILE . 2.5 p -80.3 144.68 10.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.091 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.969 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 4.7 m-85 -119.41 133.81 55.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.949 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.577 ' CB ' HG22 ' A' ' 76' ' ' ILE . 8.3 t0 -91.97 80.34 5.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.339 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.559 HD21 HG22 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -88.93 14.81 9.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.467 HG21 ' O ' ' A' ' 19' ' ' LYS . 0.5 OUTLIER -64.71 -16.26 62.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.34 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -90.14 -51.6 5.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.113 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.62 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -87.42 11.62 14.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 111.042 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.452 ' CD1' ' HA ' ' A' ' 33' ' ' THR . 0.1 OUTLIER -61.88 -33.06 73.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -84.66 -20.74 30.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -85.21 -25.96 27.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 110.258 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.593 ' HB2' ' CZ ' ' A' ' 35' ' ' PHE . 38.1 t-80 -64.04 133.39 95.58 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.582 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.575 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.3 Cg_endo -74.96 -14.51 21.22 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.45 1.763 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.579 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -58.14 -78.75 0.12 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.454 1.096 . . . . 0.0 110.988 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.477 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.05 -163.78 28.03 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.435 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 13.5 tt0 -121.17 -15.07 8.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 0.762 . . . . 0.0 110.275 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.532 ' HA ' ' CG ' ' A' ' 47' ' ' ARG . 3.3 pm0 -115.51 -27.55 7.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 110.247 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.477 ' CG1' ' HA3' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -71.2 -30.7 41.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.436 HD11 ' HB3' ' A' ' 39' ' ' HIS . 3.8 mt -73.12 -44.01 60.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.827 ' HB3' HG21 ' A' ' 21' ' ' THR . 7.8 ptm180 -82.32 -21.34 36.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 44' ' ' GLU . 0.6 OUTLIER -45.0 -29.48 0.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.24 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.721 ' O ' HG12 ' A' ' 23' ' ' VAL . 39.4 mm-40 -118.73 37.22 4.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.848 ' CB ' HG23 ' A' ' 21' ' ' THR . . . -99.1 68.54 1.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.17 -39.36 0.03 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.405 ' O ' ' CG1' ' A' ' 24' ' ' ILE . . . -117.85 -124.43 3.43 Favored Glycine 0 CA--C 1.531 1.061 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -109.88 115.87 30.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.573 0.808 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.767 ' HB3' ' HB ' ' A' ' 23' ' ' VAL . . . -96.28 -15.37 21.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.47 ' O ' ' CG ' ' A' ' 59' ' ' GLU . 0.8 OUTLIER -49.71 -24.43 2.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.439 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -79.26 -40.81 29.62 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.517 1.136 . . . . 0.0 110.315 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -85.52 -28.21 25.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.689 ' CD1' ' CE1' ' A' ' 63' ' ' HIS . 9.8 t80 -73.16 -39.68 65.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.419 1.074 . . . . 0.0 110.971 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.47 ' CG ' ' O ' ' A' ' 55' ' ' THR . 2.4 pp20? -79.41 -15.64 57.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.337 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -54.01 -51.79 62.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.264 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.451 ' H ' HG12 ' A' ' 61' ' ' VAL . 0.6 OUTLIER -69.0 -16.18 20.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.14 79.29 0.23 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.453 1.096 . . . . 0.0 110.929 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.689 ' CE1' ' CD1' ' A' ' 58' ' ' PHE . 64.7 m80 -74.74 140.08 43.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 0.755 . . . . 0.0 109.535 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.406 ' O ' ' HB ' ' A' ' 67' ' ' VAL . 3.7 m -71.83 170.11 14.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.017 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.5 t -65.19 -8.31 16.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.589 1.181 . . . . 0.0 110.438 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.402 ' O ' HD23 ' A' ' 70' ' ' LEU . 69.2 m-20 -77.64 -13.23 59.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.564 HG21 ' CD2' ' A' ' 63' ' ' HIS . 0.8 OUTLIER -74.22 -37.37 45.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.561 1.163 . . . . 0.0 109.3 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.9 ttp85 -64.34 -28.62 69.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 66' ' ' ASP . 11.4 pt-20 -97.56 14.28 27.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.402 HD23 ' O ' ' A' ' 66' ' ' ASP . 0.2 OUTLIER -91.33 -66.43 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.252 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.35 84.66 7.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.962 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.92 -56.02 3.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.9 m -85.36 -28.4 25.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 110.352 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.424 ' O ' ' C ' ' A' ' 75' ' ' ILE . 22.3 m-30 -62.45 -38.39 89.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.969 HD11 ' CZ ' ' A' ' 30' ' ' TYR . 1.0 OUTLIER -37.84 140.23 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.89 HG12 HG13 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -102.93 -47.73 10.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.241 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.763 ' CA ' HG21 ' A' ' 4' ' ' VAL . . . 159.31 -111.46 0.48 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.493 1.12 . . . . 0.0 111.005 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -169.11 119.4 0.71 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 0.769 . . . . 0.0 110.297 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.988 HD11 ' HB3' ' A' ' 84' ' ' ARG . 0.0 OUTLIER -59.69 158.59 9.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 109.264 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.472 ' CG ' ' HD2' ' A' ' 81' ' ' PRO . 4.8 t-80 -37.03 141.77 0.39 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.616 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.587 ' O ' ' HG3' ' A' ' 84' ' ' ARG . 18.2 Cg_endo -74.9 -26.8 10.79 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.502 1.791 . . . . 0.0 110.98 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.452 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 0.6 OUTLIER -80.68 -18.84 46.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.344 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.614 ' OD1' HD11 ' A' ' 9' ' ' LEU . 1.8 m-20 -86.53 -43.5 12.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.356 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.988 ' HB3' HD11 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -59.66 -28.52 67.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.291 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.44 ' N ' ' HD3' ' A' ' 84' ' ' ARG . 46.8 t -86.51 -11.65 51.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 110.021 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -79.72 -31.68 41.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.483 HD13 ' HA ' ' A' ' 87' ' ' ILE . 5.5 mm -70.66 -5.86 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.98 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.63 HG21 ' CA ' ' A' ' 77' ' ' GLY . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.617 ' O ' ' CE1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -84.83 141.1 30.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.416 1.073 . . . . 0.0 109.246 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -94.89 92.76 7.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.972 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.617 ' CE1' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -96.95 129.97 44.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.592 HG22 ' HB2' ' A' ' 80' ' ' HIS . 34.4 p -79.72 156.05 27.71 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.539 1.15 . . . . 0.0 110.379 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.526 HD12 ' N ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -35.13 -36.93 0.06 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.488 1.117 . . . . 0.0 109.35 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 8' ' ' THR . 2.5 tt0 -38.9 -29.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.4 1.062 . . . . 0.0 110.311 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 9' ' ' LEU . 9.8 mm-40 -99.57 -49.7 4.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 110.267 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.537 HD12 ' CZ3' ' A' ' 22' ' ' TRP . 1.3 mp -54.23 -38.02 37.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -76.06 -25.93 56.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.403 1.064 . . . . 0.0 110.349 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.1 -10.5 59.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.133 . . . . 0.0 109.349 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.68 ' ND1' ' CZ2' ' A' ' 22' ' ' TRP . 13.3 m-70 -113.0 58.68 0.65 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.631 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -110.06 62.07 0.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -158.64 161.86 37.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.254 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 91.5 p -52.07 -47.43 65.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.396 1.06 . . . . 0.0 109.939 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.0 -63.62 0.89 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.254 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.5 104.45 7.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.954 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.526 HG23 ' HB2' ' A' ' 50' ' ' ALA . 0.6 OUTLIER -136.52 124.65 23.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.367 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.68 ' CZ2' ' ND1' ' A' ' 15' ' ' HIS . 0.8 OUTLIER -124.54 178.54 5.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 108.01 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.668 HG22 HD21 ' A' ' 32' ' ' LEU . 18.8 m -154.56 110.64 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.085 . . . . 0.0 109.322 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.594 HG22 ' HB ' ' A' ' 29' ' ' VAL . 1.1 pp -60.83 130.67 25.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.53 1.144 . . . . 0.0 109.364 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.452 HD12 ' HB2' ' A' ' 26' ' ' HIS . 2.3 pp -165.7 130.15 2.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.452 ' HB2' HD12 ' A' ' 25' ' ' LEU . 0.5 OUTLIER 70.18 19.01 6.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.624 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 19.3 t60 69.84 36.99 1.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 109.562 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.624 ' O ' ' CD1' ' A' ' 30' ' ' TYR . 0.2 OUTLIER -164.06 94.57 0.75 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.446 1.091 . . . . 0.0 109.334 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.928 HG13 HG12 ' A' ' 76' ' ' ILE . 2.7 p -58.68 146.93 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 1.174 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 19.9 m-85 -118.91 136.16 54.2 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.525 1.141 . . . . 0.0 111.063 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.615 ' CB ' HG22 ' A' ' 76' ' ' ILE . 6.3 t0 -91.6 78.55 5.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.668 HD21 HG22 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -86.16 15.4 5.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.405 ' HA ' HD12 ' A' ' 36' ' ' LEU . 0.6 OUTLIER -64.02 -19.9 65.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 0.0 110.31 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.0 tptp -90.39 -54.93 3.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.602 ' CZ ' ' HB2' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -81.79 8.93 8.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 111.046 179.912 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.949 ' HG ' HD12 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -51.4 -35.49 39.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -85.15 -22.74 28.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.236 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -83.29 -2.76 56.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.443 1.089 . . . . 0.0 110.246 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.71 ' ND1' HD21 ' A' ' 46' ' ' LEU . 30.0 t-80 -88.07 132.3 40.23 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.575 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.63 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.4 Cg_endo -75.0 -10.23 21.12 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.494 1.786 . . . . 0.0 111.015 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.6 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -65.33 -81.14 0.13 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.47 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.13 -163.96 28.37 Favored Glycine 0 CA--C 1.531 1.066 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -115.57 -17.36 11.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 0.803 . . . . 0.0 110.305 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.568 ' O ' ' N ' ' A' ' 48' ' ' GLU . 1.3 pm0 -109.6 -32.38 7.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.314 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.503 ' O ' ' HB3' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -56.85 -40.55 72.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.949 HD12 ' HG ' ' A' ' 36' ' ' LEU . 6.2 mt -64.89 -63.12 1.19 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.56 1.162 . . . . 0.0 109.223 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.535 ' CG ' ' HA ' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -61.85 -22.74 65.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.237 -179.933 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.568 ' N ' ' O ' ' A' ' 44' ' ' GLU . 1.2 tt0 -54.41 -32.92 58.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.286 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 67.0 mm-40 -114.46 18.69 16.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.36 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.526 ' HB2' HG23 ' A' ' 21' ' ' THR . . . -86.87 68.98 10.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.16 -37.63 0.03 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.457 1.098 . . . . 0.0 111.017 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -121.55 -125.63 3.18 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.418 ' HA ' HG13 ' A' ' 24' ' ' ILE . 8.7 p-10 -109.86 118.2 35.85 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.498 0.764 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.565 ' HB3' ' HB ' ' A' ' 23' ' ' VAL . . . -100.15 -14.04 18.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 109.345 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.491 ' HA ' ' HB3' ' A' ' 58' ' ' PHE . 0.7 OUTLIER -49.86 -35.56 23.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 110.36 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.11 -47.27 80.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 15.9 m-80 -79.81 -30.9 40.63 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.429 1.081 . . . . 0.0 109.237 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.561 ' CD1' ' C ' ' A' ' 58' ' ' PHE . 0.7 OUTLIER -70.44 -39.8 74.13 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.475 1.109 . . . . 0.0 110.981 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.426 ' C ' ' CD ' ' A' ' 59' ' ' GLU . 2.2 pp20? -78.03 -20.77 51.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -59.42 -55.42 34.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.446 1.091 . . . . 0.0 109.283 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -62.76 -19.54 23.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 69.42 78.61 0.34 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.505 1.128 . . . . 0.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.468 ' ND1' ' O ' ' A' ' 58' ' ' PHE . 56.0 m80 -71.02 140.16 50.71 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.464 0.743 . . . . 0.0 109.592 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 21.6 m -62.71 167.74 4.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.578 1.174 . . . . 0.0 109.973 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.1 t -75.67 -9.77 58.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.412 1.07 . . . . 0.0 110.403 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.426 ' O ' HD23 ' A' ' 70' ' ' LEU . 45.8 m-20 -88.14 -1.33 57.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.1 t -82.65 -38.92 15.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.22 -19.48 65.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.327 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -98.78 -24.29 15.07 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.458 1.099 . . . . 0.0 110.351 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.426 HD23 ' O ' ' A' ' 66' ' ' ASP . 0.3 OUTLIER -55.12 -66.6 0.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 39.1 m -79.1 69.85 5.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.959 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.5 mtpt -86.06 -48.79 8.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.7 m -84.45 -32.15 24.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 110.377 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.44 ' O ' ' C ' ' A' ' 75' ' ' ILE . 17.3 m-85 -60.63 -39.53 88.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 111.019 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 1.174 HD11 ' CZ ' ' A' ' 30' ' ' TYR . 0.8 OUTLIER -35.78 139.87 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.337 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.928 HG12 HG13 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -102.58 -44.28 9.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.63 ' CA ' HG21 ' A' ' 4' ' ' VAL . . . 157.14 -110.77 0.46 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.49 1.119 . . . . 0.0 110.956 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.404 ' HG2' HG11 ' A' ' 4' ' ' VAL . 8.8 pt-20 -170.16 119.48 0.6 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.42 0.718 . . . . 0.0 110.31 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.965 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -59.08 157.66 9.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.353 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.592 ' HB2' HG22 ' A' ' 8' ' ' THR . 4.4 t-80 -36.45 139.09 0.46 Allowed Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.502 1.126 . . . . 0.0 109.625 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 80' ' ' HIS . 18.3 Cg_endo -75.01 -29.64 8.0 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.493 1.786 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.427 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 0.4 OUTLIER -74.48 -31.88 62.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.423 ' OD2' HD11 ' A' ' 9' ' ' LEU . 3.4 m-20 -86.74 -17.73 32.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.775 ' HB2' HD11 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -69.81 -30.26 67.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.366 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.1 t -90.49 -11.45 40.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.977 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 28.1 mttp -84.34 -28.83 26.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 45.9 mt -61.27 -13.85 9.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 -179.986 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.431 HG11 ' HG2' ' A' ' 78' ' ' GLU . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.631 ' O ' ' CZ ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -93.7 122.62 36.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.536 ' HB3' ' CD2' ' A' ' 80' ' ' HIS . 64.0 m-85 -85.63 98.79 10.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.969 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.631 ' CZ ' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -104.89 128.74 53.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.411 1.069 . . . . 0.0 111.019 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.495 ' HA ' HD23 ' A' ' 79' ' ' LEU . 44.0 p -76.34 165.33 25.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.409 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.421 ' CD1' ' H ' ' A' ' 9' ' ' LEU . 6.8 mp -42.31 -32.86 0.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.32 -21.86 1.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.429 ' O ' ' CD2' ' A' ' 15' ' ' HIS . 19.5 mm-40 -98.41 -56.32 2.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.103 . . . . 0.0 110.302 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.499 ' CD1' ' HB2' ' A' ' 79' ' ' LEU . 2.7 mp -55.45 -35.64 38.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 109.286 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.411 ' OE1' ' CA ' ' A' ' 51' ' ' GLY . 11.0 mm100 -55.51 -37.02 67.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.137 . . . . 0.0 110.386 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -75.04 -15.06 60.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.804 ' CD2' ' CH2' ' A' ' 22' ' ' TRP . 84.2 m-70 -104.26 49.18 0.82 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 109.563 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.16 49.84 0.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -148.9 166.53 28.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.7 p -52.53 -46.64 66.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.032 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -43.86 -57.61 3.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.416 1.073 . . . . 0.0 109.25 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 15' ' ' HIS . 0.1 OUTLIER -139.47 102.69 4.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.09 . . . . 0.0 110.041 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -125.35 121.28 33.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 110.43 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.804 ' CH2' ' CD2' ' A' ' 15' ' ' HIS . 2.1 m0 -122.23 179.54 4.52 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 1.065 HG22 HD21 ' A' ' 32' ' ' LEU . 30.7 m -156.63 107.2 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.407 1.067 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.614 HG22 ' O ' ' A' ' 52' ' ' GLY . 0.2 OUTLIER -63.79 107.54 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.536 HD23 HG23 ' A' ' 23' ' ' VAL . 4.3 pp -131.59 140.89 49.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.158 . . . . 0.0 109.203 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 53.78 35.33 21.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.586 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.4 ' C ' ' HG3' ' A' ' 28' ' ' LYS . 19.4 m-70 66.66 10.48 7.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.615 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.435 ' O ' ' O ' ' A' ' 25' ' ' LEU . 24.2 mtpt -131.48 116.49 17.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.945 HG13 HG12 ' A' ' 76' ' ' ILE . 4.1 p -82.32 141.44 15.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.412 1.07 . . . . 0.0 109.259 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 1.07 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 4.2 m-85 -119.6 137.62 53.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.467 ' N ' ' CG2' ' A' ' 76' ' ' ILE . 9.0 t70 -92.47 81.03 4.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.358 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 1.065 HD21 HG22 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -86.13 20.08 2.44 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.3 -22.64 63.78 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 0.0 110.336 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.9 tptt -89.93 -51.65 5.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.632 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -83.14 10.09 9.02 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.433 1.083 . . . . 0.0 111.044 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.963 ' HG ' HD12 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -54.84 -43.68 73.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.137 . . . . 0.0 109.305 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.84 -23.2 49.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.3 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -81.74 -5.49 58.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 110.27 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.746 ' ND1' HD21 ' A' ' 46' ' ' LEU . 24.4 t-80 -88.02 130.84 44.88 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 109.512 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.619 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.2 Cg_endo -75.06 -7.14 18.84 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.499 1.789 . . . . 0.0 111.015 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.579 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -66.06 -82.71 0.11 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.45 1.094 . . . . 0.0 111.007 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.507 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.21 -164.41 29.15 Favored Glycine 0 CA--C 1.529 0.952 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.45 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 20.2 tt0 -119.71 -21.29 7.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 0.785 . . . . 0.0 110.26 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -109.94 6.65 23.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.258 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.581 HG22 HD23 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -100.24 -44.05 11.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.345 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.963 HD12 ' HG ' ' A' ' 36' ' ' LEU . 6.5 mt -60.73 -57.22 13.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.1 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.671 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -64.6 -27.31 68.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.394 1.059 . . . . 0.0 110.314 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -45.29 -29.5 1.03 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.127 . . . . 0.0 110.336 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -120.22 30.22 7.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 110.36 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.671 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -86.98 59.99 5.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.166 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.411 ' CA ' ' OE1' ' A' ' 13' ' ' GLN . . . -169.85 -37.14 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.485 1.116 . . . . 0.0 110.924 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.614 ' O ' HG22 ' A' ' 24' ' ' ILE . . . -110.48 -137.68 7.63 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.459 ' HB2' HG22 ' A' ' 55' ' ' THR . 8.3 p-10 -109.69 116.06 31.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 0.77 . . . . 0.0 109.346 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.522 ' HB3' ' HB ' ' A' ' 23' ' ' VAL . . . -90.58 -15.12 31.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.459 HG22 ' HB2' ' A' ' 53' ' ' ASP . 0.5 OUTLIER -49.72 -27.4 4.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.43 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.57 -43.33 63.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -82.79 -32.35 27.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.531 ' CD1' ' C ' ' A' ' 58' ' ' PHE . 1.6 t80 -69.07 -39.77 78.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 111.002 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.434 ' CG ' ' O ' ' A' ' 55' ' ' THR . 1.9 pp20? -78.57 -19.38 52.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.083 . . . . 0.0 110.303 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -64.79 -55.68 18.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -61.69 -20.19 22.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.254 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.04 80.65 0.18 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.484 1.115 . . . . 0.0 110.931 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.686 ' HB3' HG21 ' A' ' 67' ' ' VAL . 70.2 m80 -70.3 135.18 48.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 0.77 . . . . 0.0 109.573 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.41 ' O ' ' HB ' ' A' ' 67' ' ' VAL . 0.2 OUTLIER -54.58 170.27 0.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.005 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.8 m -70.74 -25.86 63.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.334 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.33 -9.9 57.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.354 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.686 HG21 ' HB3' ' A' ' 63' ' ' HIS . 0.3 OUTLIER -70.58 -30.67 43.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -62.89 -36.0 81.87 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.527 1.142 . . . . 0.0 110.236 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -99.09 29.17 4.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 110.32 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.435 HD22 ' HA ' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -97.24 -66.87 0.87 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.339 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 15.0 m -85.75 66.73 9.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.002 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.29 -51.58 11.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.9 m -87.45 -42.95 12.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 110.368 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.503 ' CE2' ' CB ' ' A' ' 35' ' ' PHE . 21.0 m-30 -44.69 -36.79 3.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 111.012 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 1.07 HD11 ' CZ ' ' A' ' 30' ' ' TYR . 1.1 mm -39.2 140.94 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.607 1.192 . . . . 0.0 109.254 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.945 HG12 HG13 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -105.87 -45.38 8.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 151.16 -119.87 1.04 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.525 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 1.6 pt-20 -147.64 121.22 9.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 0.794 . . . . 0.0 110.363 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.966 HD13 ' H ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -42.88 -46.37 5.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 109.32 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.966 ' H ' HD13 ' A' ' 79' ' ' LEU . 4.8 t-80 172.32 145.38 0.16 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.61 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.555 ' HD2' ' CG ' ' A' ' 80' ' ' HIS . 18.3 Cg_endo -75.05 -28.29 9.21 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.492 1.785 . . . . 0.0 110.971 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.09 -61.55 1.95 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.519 ' HB2' HD21 ' A' ' 79' ' ' LEU . 1.0 OUTLIER -59.87 -18.26 43.02 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.567 1.167 . . . . 0.0 109.3 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.507 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -63.85 -33.7 76.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 0.0 110.259 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . 0.475 ' N ' ' HD3' ' A' ' 84' ' ' ARG . 28.4 t -92.44 -9.98 39.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 110.031 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -73.94 -43.27 58.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.574 1.171 . . . . 0.0 109.29 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.406 ' O ' ' C ' ' A' ' 88' ' ' ALA . 4.1 mm -67.17 -18.12 23.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 87' ' ' ILE . . . . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.097 . . . . 0.0 109.287 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.637 HG21 ' CA ' ' A' ' 77' ' ' GLY . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.499 ' HB3' ' CE2' ' A' ' 7' ' ' TYR . 1.8 tttt -84.7 136.76 33.59 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.494 1.121 . . . . 0.0 109.254 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -94.19 93.83 8.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 110.975 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.566 ' CG ' ' OE2' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -102.35 129.97 48.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 110.965 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.776 HG22 ' CB ' ' A' ' 80' ' ' HIS . 35.8 p -80.66 162.35 24.23 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 1.091 . . . . 0.0 110.392 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.874 HD21 HD11 ' A' ' 87' ' ' ILE . 1.0 OUTLIER -35.19 -43.01 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.342 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 9' ' ' LEU . 4.6 tt0 -37.3 -29.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.366 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.566 ' OE2' ' CG ' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -95.17 -53.45 3.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.341 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.843 HD11 ' HB3' ' A' ' 79' ' ' LEU . 28.1 mt -52.54 -34.49 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.326 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.558 ' CG ' ' O ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -81.96 -25.11 35.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.265 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.21 -13.19 60.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.471 ' ND1' ' CZ2' ' A' ' 22' ' ' TRP . 6.6 m170 -119.29 57.65 0.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.525 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.405 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 4.0 ttpp -109.76 66.54 0.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.457 ' H ' ' HG1' ' A' ' 21' ' ' THR . 0.8 OUTLIER -160.08 153.51 22.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.436 ' O ' ' OG1' ' A' ' 33' ' ' THR . 0.3 OUTLIER -40.77 -54.48 2.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.1 . . . . 0.0 110.006 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 18' ' ' SER . 0.7 OUTLIER -39.62 -61.59 0.8 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.79 107.76 7.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 0.0 109.981 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.795 HG21 ' HB3' ' A' ' 47' ' ' ARG . 1.5 m -139.77 129.81 24.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.381 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.659 ' O ' HG13 ' A' ' 23' ' ' VAL . 0.3 OUTLIER -129.13 -173.41 2.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 108.018 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.659 HG13 ' O ' ' A' ' 22' ' ' TRP . 18.9 m -159.73 117.28 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.767 HD13 ' C ' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -74.6 112.49 11.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.414 1.072 . . . . 0.0 109.247 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.532 ' O ' HD12 ' A' ' 25' ' ' LEU . 3.8 pp -126.69 119.37 26.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.084 . . . . 0.0 109.272 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 62.95 38.09 11.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.564 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.537 ' CG ' ' HG3' ' A' ' 84' ' ' ARG . 3.4 m-70 67.38 22.16 9.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.55 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.3 mmtt -135.68 108.39 7.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 109.285 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.97 HG13 HG12 ' A' ' 76' ' ' ILE . 4.1 p -84.55 141.35 14.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 1.101 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 8.1 m-85 -124.91 132.26 53.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 111.023 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.517 ' OD1' HG22 ' A' ' 33' ' ' THR . 5.3 t0 -90.23 82.04 6.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.343 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.543 HD23 ' O ' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -90.41 24.17 2.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.17 . . . . 0.0 109.321 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.517 HG22 ' OD1' ' A' ' 31' ' ' ASP . 1.2 t -69.64 -18.79 63.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.431 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.6 tptm -90.14 -54.58 3.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.269 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.591 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -81.37 10.1 6.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 0.0 111.002 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.982 ' HG ' HD12 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -56.41 -41.8 76.92 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.44 1.087 . . . . 0.0 109.266 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.04 -28.27 54.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -81.52 -0.93 44.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.766 ' ND1' HD21 ' A' ' 46' ' ' LEU . 28.7 t-80 -89.65 132.16 37.68 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.668 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.624 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.2 Cg_endo -74.97 -18.39 18.85 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.489 1.784 . . . . 0.0 111.052 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.604 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -56.78 -81.9 0.06 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.462 1.101 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.18 -162.48 25.95 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.405 ' O ' ' CG ' ' A' ' 43' ' ' GLU . 10.3 tt0 -119.14 -13.44 9.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.775 . . . . 0.0 110.319 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.547 ' HA ' ' CG ' ' A' ' 47' ' ' ARG . 1.1 pm0 -113.05 -27.21 8.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.588 1.18 . . . . 0.0 110.309 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.416 ' O ' ' HB2' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -63.52 -45.18 98.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 109.333 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.982 HD12 ' HG ' ' A' ' 36' ' ' LEU . 4.3 mt -60.14 -59.26 5.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.342 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.795 ' HB3' HG21 ' A' ' 21' ' ' THR . 7.2 ptm180 -64.16 -25.23 67.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.268 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 44' ' ' GLU . 0.7 OUTLIER -46.12 -30.01 1.75 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.285 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.545 ' CB ' ' HB2' ' A' ' 54' ' ' ALA . 30.5 mm-40 -116.21 31.21 6.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.312 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.726 ' HB2' HG23 ' A' ' 21' ' ' THR . . . -88.94 53.19 2.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.351 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.05 -34.51 0.02 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.528 ' O ' HG22 ' A' ' 24' ' ' ILE . . . -114.98 -133.04 5.39 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -109.67 121.41 45.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 0.782 . . . . 0.0 109.334 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.545 ' HB2' ' CB ' ' A' ' 49' ' ' GLN . . . -96.41 -16.34 21.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.443 ' HB ' ' HA ' ' A' ' 25' ' ' LEU . 0.5 OUTLIER -49.52 -29.96 7.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.365 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.14 -44.91 67.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.565 1.166 . . . . 0.0 110.29 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.402 ' O ' ' HB3' ' A' ' 60' ' ' ASP . 2.6 m120 -81.04 -32.19 34.2 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.545 ' CE1' ' HB2' ' A' ' 63' ' ' HIS . 1.5 t80 -69.87 -40.01 75.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 110.967 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.411 ' CG ' ' O ' ' A' ' 55' ' ' THR . 2.1 pp20? -78.2 -19.81 53.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.414 1.071 . . . . 0.0 110.276 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.402 ' HB3' ' O ' ' A' ' 57' ' ' ASN . 1.6 t70 -61.08 -53.78 52.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.367 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -67.68 -16.22 20.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 65.51 80.88 0.14 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.492 1.12 . . . . 0.0 111.033 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.545 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 64.7 m80 -74.46 139.96 44.28 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 0.781 . . . . 0.0 109.588 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.405 ' O ' ' HB ' ' A' ' 67' ' ' VAL . 53.4 m -64.4 168.86 5.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.025 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.2 t -74.7 -11.26 60.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.427 1.079 . . . . 0.0 110.432 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.713 ' O ' HD23 ' A' ' 70' ' ' LEU . 1.8 p-10 -86.26 -2.43 58.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.336 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.415 HG11 ' CZ ' ' A' ' 58' ' ' PHE . 1.2 t -84.04 -38.27 13.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -63.28 -26.87 68.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 110.346 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -91.44 -34.62 14.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.372 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.713 HD23 ' O ' ' A' ' 66' ' ' ASP . 0.5 OUTLIER -48.4 -56.91 6.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.254 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 80.0 p -81.65 72.46 8.69 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.48 1.113 . . . . 0.0 109.99 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.95 -51.92 5.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 109.247 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.3 m -80.59 -37.7 30.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.393 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -56.17 -34.8 66.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 111.019 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 1.101 HD11 ' CZ ' ' A' ' 30' ' ' TYR . 1.0 OUTLIER -42.61 140.65 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.97 HG12 HG13 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -104.67 -45.85 9.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.273 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.637 ' CA ' HG21 ' A' ' 4' ' ' VAL . . . 157.21 -111.0 0.47 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.453 1.095 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -169.01 119.68 0.73 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.531 0.783 . . . . 0.0 110.257 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.897 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -53.21 159.16 1.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.269 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.776 ' CB ' HG22 ' A' ' 8' ' ' THR . 2.2 t-80 -35.26 141.27 0.29 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.414 1.071 . . . . 0.0 109.577 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 80' ' ' HIS . 18.1 Cg_endo -75.0 -27.13 10.27 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.578 1.83 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -71.72 -48.15 49.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.411 ' CG ' ' HB ' ' A' ' 8' ' ' THR . 1.1 m-20 -65.6 -29.86 70.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.102 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.537 ' HG3' ' CG ' ' A' ' 27' ' ' HIS . 0.0 OUTLIER -60.54 -38.2 83.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.281 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 29.3 t -72.7 -12.72 61.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.075 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -93.43 -21.43 19.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.335 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.874 HD11 HD21 ' A' ' 9' ' ' LEU . 20.2 mm -67.48 -7.41 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 109.232 -179.946 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.661 HG21 ' HA3' ' A' ' 77' ' ' GLY . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.682 ' HG2' ' CE2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -93.51 136.25 33.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -79.8 104.49 10.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 111.046 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.682 ' CE2' ' HG2' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -106.92 129.79 54.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.957 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.771 HG22 ' HB2' ' A' ' 80' ' ' HIS . 39.2 p -82.17 156.9 24.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 110.449 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.484 HD21 HD11 ' A' ' 87' ' ' ILE . 1.6 mp -35.15 -38.17 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.425 1.078 . . . . 0.0 109.346 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 8' ' ' THR . 7.8 tt0 -39.03 -29.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 110.277 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.596 ' O ' ' CD2' ' A' ' 15' ' ' HIS . 4.5 mm-40 -95.23 -54.64 3.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.269 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.423 HD11 ' HB3' ' A' ' 79' ' ' LEU . 73.8 mt -49.93 -40.07 16.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.536 1.147 . . . . 0.0 109.267 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.418 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 7.9 mm-40 -59.37 -39.69 84.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 110.318 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.8 -5.84 40.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.561 1.163 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 11' ' ' GLU . 67.9 m-70 -114.67 48.0 1.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 0.0 109.563 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.23 65.37 0.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.44 ' H ' ' HG1' ' A' ' 21' ' ' THR . 1.3 t0 -159.8 153.49 22.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.337 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.403 ' O ' ' OG1' ' A' ' 33' ' ' THR . 66.7 p -42.09 -50.45 4.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.991 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.52 -61.17 1.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.43 ' O ' ' O ' ' A' ' 15' ' ' HIS . 0.2 OUTLIER -133.5 102.59 5.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.041 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.834 HG23 ' HB2' ' A' ' 50' ' ' ALA . 1.3 m -132.29 117.07 17.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 110.427 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.705 ' O ' HG13 ' A' ' 23' ' ' VAL . 1.5 m0 -116.82 -173.81 2.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 108.039 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.834 HG22 HD21 ' A' ' 32' ' ' LEU . 3.2 m -160.04 111.06 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.241 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.522 ' CG2' ' O ' ' A' ' 52' ' ' GLY . 0.0 OUTLIER -66.14 111.69 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 109.368 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.566 HD12 ' HB2' ' A' ' 26' ' ' HIS . 0.6 OUTLIER -143.24 150.89 39.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.566 ' HB2' HD12 ' A' ' 25' ' ' LEU . 15.3 m-70 52.98 29.41 7.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.644 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.635 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 0.4 OUTLIER 70.15 6.62 5.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.587 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.555 ' O ' ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -135.3 119.65 17.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.142 . . . . 0.0 109.311 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.891 HG13 HG12 ' A' ' 76' ' ' ILE . 2.7 p -79.55 144.27 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.977 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 4.3 m-85 -120.91 139.72 52.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 111.028 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.638 ' CB ' HG22 ' A' ' 76' ' ' ILE . 7.3 t70 -96.06 79.94 3.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.137 . . . . 0.0 109.354 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.834 HD21 HG22 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -89.68 26.04 1.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.45 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 0.6 OUTLIER -72.05 -20.92 61.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.102 . . . . 0.0 110.431 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.77 -53.58 4.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.416 1.073 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.655 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -82.81 10.62 7.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 111.032 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.45 ' CD1' ' HA ' ' A' ' 33' ' ' THR . 0.2 OUTLIER -57.08 -39.14 74.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.83 -20.44 39.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.297 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -85.67 -2.28 58.03 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 110.318 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.604 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 26.5 t-80 -91.66 130.87 37.48 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.543 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.604 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.4 Cg_endo -74.91 -9.56 20.95 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.528 1.804 . . . . 0.0 111.017 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.599 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -61.06 -80.39 0.1 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.512 1.132 . . . . 0.0 111.015 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.471 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.1 -167.99 34.4 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.464 ' O ' ' CG ' ' A' ' 43' ' ' GLU . 11.3 tt0 -121.72 -9.64 8.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 0.743 . . . . 0.0 110.253 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.547 ' CG ' ' O ' ' A' ' 44' ' ' GLU . 4.2 tt0 -120.71 -2.41 9.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.209 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.471 ' CG1' ' HA3' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -99.83 -29.04 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.419 ' N ' HD23 ' A' ' 46' ' ' LEU . 1.2 mt -77.1 -35.47 56.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 109.311 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.615 ' HB3' HG21 ' A' ' 21' ' ' THR . 7.2 ptm180 -87.53 -22.71 24.7 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.131 . . . . 0.0 110.392 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -53.28 -30.13 36.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.314 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.567 ' CB ' ' HB2' ' A' ' 54' ' ' ALA . 37.3 mm-40 -100.95 9.88 41.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 110.373 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.834 ' HB2' HG23 ' A' ' 21' ' ' THR . . . -78.6 57.91 2.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.04 -36.85 0.03 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.461 1.101 . . . . 0.0 110.979 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.522 ' O ' ' CG2' ' A' ' 24' ' ' ILE . . . -122.7 -124.89 3.01 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.67 122.33 47.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 0.753 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.567 ' HB2' ' CB ' ' A' ' 49' ' ' GLN . . . -91.55 -18.86 23.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.413 1.07 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.486 ' HA ' ' HB3' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -49.46 -48.85 47.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.435 179.939 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -48.53 -29.04 3.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.507 ' O ' ' HB3' ' A' ' 60' ' ' ASP . 1.9 m-20 -100.01 -48.23 4.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.6 ' CD1' ' CE1' ' A' ' 63' ' ' HIS . 18.2 t80 -56.8 -39.47 74.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.143 . . . . 0.0 110.959 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.485 ' HB2' ' O ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -82.02 -23.85 35.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.273 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.507 ' HB3' ' O ' ' A' ' 57' ' ' ASN . 10.4 t70 -56.95 -58.38 8.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.45 ' H ' HG12 ' A' ' 61' ' ' VAL . 0.4 OUTLIER -59.89 -17.18 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 65.87 79.06 0.2 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.493 1.121 . . . . 0.0 111.046 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.6 ' CE1' ' CD1' ' A' ' 58' ' ' PHE . 53.8 m80 -74.73 140.05 43.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.441 0.73 . . . . 0.0 109.698 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.51 164.05 10.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 0.0 109.977 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.3 t -73.72 -13.29 60.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.42 1.075 . . . . 0.0 110.407 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -87.2 0.57 55.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.4 ' O ' ' HB2' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -70.07 -21.99 24.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.423 1.077 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -63.39 -24.4 67.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.269 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -69.69 -30.44 68.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 67' ' ' VAL . 1.1 mm? -59.83 -72.6 0.1 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.407 1.067 . . . . 0.0 109.28 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 51.6 p -76.84 114.53 15.71 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.561 1.163 . . . . 0.0 109.923 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.95 -68.41 0.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.235 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.5 m -87.98 -23.11 23.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 110.391 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.414 ' O ' ' C ' ' A' ' 75' ' ' ILE . 18.5 m-85 -56.38 -37.28 69.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 111.008 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.977 HD11 ' CZ ' ' A' ' 30' ' ' TYR . 0.8 OUTLIER -38.64 140.21 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.891 HG12 HG13 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -99.53 -49.44 11.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.275 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.661 ' HA3' HG21 ' A' ' 4' ' ' VAL . . . 161.45 -111.15 0.47 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.507 1.129 . . . . 0.0 110.958 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -167.66 119.72 0.89 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 0.778 . . . . 0.0 110.269 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.931 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -59.99 157.63 12.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.328 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.771 ' HB2' HG22 ' A' ' 8' ' ' THR . 1.9 t-80 -35.99 136.97 0.49 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 0.0 109.638 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -19.55 17.84 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.548 1.815 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -79.46 -39.23 32.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.92 -27.68 54.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.783 ' HB2' HD11 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -62.6 -33.48 75.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.314 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.3 t -89.7 -3.44 58.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.975 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 33.1 mttt -88.84 -30.35 19.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.413 1.071 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.484 HD11 HD21 ' A' ' 9' ' ' LEU . 59.3 mt -65.19 -11.36 11.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.302 -180.0 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.622 HG21 ' HA2' ' A' ' 77' ' ' GLY . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.238 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.528 ' O ' ' CE2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -92.69 135.04 34.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.256 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -89.73 94.63 9.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.142 . . . . 0.0 111.008 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.528 ' CE2' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -105.34 129.78 53.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.982 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.794 HG22 ' HB2' ' A' ' 80' ' ' HIS . 43.4 p -79.42 159.09 27.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.462 1.101 . . . . 0.0 110.393 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.532 ' CD1' HD23 ' A' ' 79' ' ' LEU . 2.4 mp -39.79 -33.85 0.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -46.12 -24.72 0.48 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.442 1.089 . . . . 0.0 110.308 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 14' ' ' LYS . 18.7 mm-40 -98.88 -57.52 2.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.345 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.527 ' H ' HD12 ' A' ' 12' ' ' ILE . 3.8 mp -46.55 -39.73 4.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.146 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.447 ' NE2' ' O ' ' A' ' 51' ' ' GLY . 57.2 mm-40 -55.09 -34.48 63.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.525 1.141 . . . . 0.0 110.325 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 11' ' ' GLU . 0.6 OUTLIER -74.71 -7.55 53.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.266 -179.902 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.593 ' CD2' ' CH2' ' A' ' 22' ' ' TRP . 90.3 m-70 -107.82 44.85 1.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 109.595 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.5 tttm -109.92 53.07 0.7 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.576 1.173 . . . . 0.0 109.293 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -149.88 169.71 20.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.582 1.176 . . . . 0.0 109.245 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.45 -53.86 53.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.933 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.22 -41.13 36.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 109.266 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.72 110.64 6.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.007 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.682 HG21 HD11 ' A' ' 36' ' ' LEU . 0.8 OUTLIER -141.05 116.82 10.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 110.43 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.698 ' O ' HG13 ' A' ' 23' ' ' VAL . 14.0 m0 -117.53 -177.84 3.33 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.536 1.148 . . . . 0.0 108.041 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.698 HG13 ' O ' ' A' ' 22' ' ' TRP . 2.9 m -160.18 102.83 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 109.265 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.605 HG22 ' O ' ' A' ' 52' ' ' GLY . 5.0 tt -62.01 116.27 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 109.231 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.593 ' O ' HD12 ' A' ' 25' ' ' LEU . 4.3 pp -137.69 122.75 19.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.255 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.437 ' O ' ' HB3' ' A' ' 27' ' ' HIS . 67.9 m-70 63.67 36.7 10.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.575 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.517 ' CG ' ' HG3' ' A' ' 84' ' ' ARG . 3.4 t60 68.58 5.01 4.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.679 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.416 ' NZ ' ' OE1' ' A' ' 78' ' ' GLU . 3.6 mptp? -118.42 114.54 23.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.266 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.929 HG13 HG12 ' A' ' 76' ' ' ILE . 7.3 p -85.52 136.9 21.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.797 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 4.0 m-85 -117.79 139.18 51.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 111.018 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.645 ' CB ' HG22 ' A' ' 76' ' ' ILE . 9.0 t0 -100.31 83.31 2.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.425 1.078 . . . . 0.0 109.255 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.814 HD22 ' CBB' ' A' ' 95' ' ' HEM . 0.1 OUTLIER -91.87 22.44 4.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.484 ' HA ' HD12 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -67.17 -19.69 65.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.589 1.181 . . . . 0.0 110.381 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.01 -54.43 4.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.614 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -80.7 7.79 9.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.945 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.682 HD11 HG21 ' A' ' 21' ' ' THR . 0.2 OUTLIER -53.98 -41.89 68.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.253 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.36 -21.75 45.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.79 -2.43 56.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.423 1.077 . . . . 0.0 110.312 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.597 ' HB2' ' CZ ' ' A' ' 35' ' ' PHE . 23.3 t-80 -91.14 129.61 43.05 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.615 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.591 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.4 Cg_endo -74.9 -1.82 11.7 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.464 1.771 . . . . 0.0 110.979 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.579 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -70.07 -79.09 0.35 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.484 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -173.88 -169.57 36.27 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.415 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 12.5 tt0 -122.28 -13.97 7.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 0.787 . . . . 0.0 110.291 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -116.95 -2.64 11.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.632 1.208 . . . . 0.0 110.279 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.607 HG22 HD23 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -100.22 -28.97 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.607 HD23 HG22 ' A' ' 45' ' ' VAL . 4.6 mt -74.81 -37.99 62.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 109.305 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.484 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 3.8 ptm180 -84.17 -25.75 29.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 110.293 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.94 -23.71 2.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.298 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 74.4 mm-40 -116.54 23.26 12.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 0.0 110.281 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.484 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -85.51 58.08 4.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.447 ' O ' ' NE2' ' A' ' 13' ' ' GLN . . . -170.41 -36.77 0.03 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.526 1.141 . . . . 0.0 111.068 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.605 ' O ' HG22 ' A' ' 24' ' ' ILE . . . -110.75 -135.19 6.84 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.471 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 0.0 OUTLIER -109.84 120.24 41.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.568 0.805 . . . . 0.0 109.319 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.655 ' HB3' ' HB ' ' A' ' 23' ' ' VAL . . . -93.82 -16.36 24.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.362 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.44 ' HA ' ' HB3' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -49.73 -32.09 12.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.389 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.89 -45.31 74.82 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.546 1.154 . . . . 0.0 110.279 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.466 ' HB3' ' CBC' ' A' ' 95' ' ' HEM . 7.5 m-20 -80.4 -34.02 36.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 109.274 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.572 ' CD1' ' C ' ' A' ' 58' ' ' PHE . 0.9 OUTLIER -66.03 -39.78 90.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.963 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.404 ' CD ' ' C ' ' A' ' 59' ' ' GLU . 2.2 pp20? -79.73 -21.9 43.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.418 1.074 . . . . 0.0 110.296 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -61.91 -57.24 12.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.413 1.071 . . . . 0.0 109.317 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.462 HG12 ' O ' ' A' ' 57' ' ' ASN . 0.7 OUTLIER -59.89 -18.21 14.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.571 1.169 . . . . 0.0 109.298 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 66.63 78.59 0.24 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.46 1.1 . . . . 0.0 110.981 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.461 ' ND1' ' O ' ' A' ' 58' ' ' PHE . 47.9 m80 -73.05 139.94 46.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 0.75 . . . . 0.0 109.542 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.8 158.45 0.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.019 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 40.0 p -73.43 -13.25 61.04 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.132 . . . . 0.0 110.44 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.422 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 6.2 m-20 -95.35 13.13 26.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 109.258 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.431 HG11 ' HB3' ' A' ' 63' ' ' HIS . 0.3 OUTLIER -85.36 -25.88 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.409 ' CG ' ' N ' ' A' ' 69' ' ' GLU . 9.4 ptm180 -59.29 -41.99 90.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 66' ' ' ASP . 5.1 pt-20 -75.3 -21.23 58.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.426 1.079 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.32 -73.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.409 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 30.7 t -81.28 121.43 26.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.973 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.409 ' HD2' ' HA ' ' A' ' 69' ' ' GLU . 0.1 OUTLIER -138.33 -58.13 0.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.8 m -72.98 -26.12 61.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.155 . . . . 0.0 110.371 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.42 ' O ' ' C ' ' A' ' 75' ' ' ILE . 20.8 m-85 -71.75 -36.2 70.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 111.026 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.797 HD11 ' CZ ' ' A' ' 30' ' ' TYR . 0.5 OUTLIER -37.97 150.78 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.409 1.068 . . . . 0.0 109.3 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.929 HG12 HG13 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -109.57 -45.45 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.622 ' HA2' HG21 ' A' ' 4' ' ' VAL . . . 154.88 -112.38 0.52 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.456 1.097 . . . . 0.0 111.023 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.511 ' HG2' HG11 ' A' ' 4' ' ' VAL . 4.6 pt-20 -167.03 119.46 0.95 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 0.742 . . . . 0.0 110.293 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.924 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -52.64 160.14 0.94 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.794 ' HB2' HG22 ' A' ' 8' ' ' THR . 2.0 t-80 -37.82 139.38 0.6 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.553 1.158 . . . . 0.0 109.658 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -21.51 15.85 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.416 1.745 . . . . 0.0 111.037 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -78.12 -37.63 45.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 109.331 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.69 -27.63 40.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.808 ' HB2' HD11 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -62.36 -35.31 78.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 110.223 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.0 m -83.99 -5.5 59.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 109.976 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.05 -27.94 22.87 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.527 1.142 . . . . 0.0 109.252 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.499 HD11 HD21 ' A' ' 9' ' ' LEU . 7.6 mm -71.65 -5.6 6.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.429 1.081 . . . . 0.0 109.204 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.411 1.07 . . . . 0.0 109.304 -179.998 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' HEM . . . . . 0.814 ' CBB' HD22 ' A' ' 32' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.63 HG21 ' CA ' ' A' ' 77' ' ' GLY . 1.1 t . . . . . 0 N--CA 1.452 -0.37 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.567 ' HB3' ' CE2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -88.27 134.91 33.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -90.19 91.48 8.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 110.984 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.567 ' CE2' ' HB3' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -101.95 129.67 48.28 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.482 1.114 . . . . 0.0 110.993 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.821 HG22 ' HB2' ' A' ' 80' ' ' HIS . 42.4 p -78.89 161.44 26.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.462 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.463 HD21 HD11 ' A' ' 87' ' ' ILE . 3.8 mp -39.89 -30.34 0.08 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.448 ' N ' ' C ' ' A' ' 8' ' ' THR . 1.4 tt0 -47.52 -24.11 0.78 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.558 1.161 . . . . 0.0 110.311 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.498 ' O ' ' CD2' ' A' ' 15' ' ' HIS . 19.4 mm-40 -98.85 -56.95 2.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.212 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.8 mp -52.99 -32.21 18.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.41 1.069 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -59.55 -45.75 90.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 110.251 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.63 -4.55 34.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.787 ' CD2' ' CH2' ' A' ' 22' ' ' TRP . 95.0 m-70 -104.84 43.5 1.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.649 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.3 ttmt -109.83 54.49 0.66 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.409 ' O ' ' C ' ' A' ' 18' ' ' SER . 0.3 OUTLIER -146.44 146.74 30.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 17' ' ' ASP . 18.5 p -38.22 -42.66 0.71 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 110.003 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.63 -70.78 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.407 ' O ' ' O ' ' A' ' 15' ' ' HIS . 0.2 OUTLIER -123.06 97.78 5.59 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.102 . . . . 0.0 110.001 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.715 HG23 ' CB ' ' A' ' 50' ' ' ALA . 3.2 m -122.0 122.34 39.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.41 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.787 ' CH2' ' CD2' ' A' ' 15' ' ' HIS . 1.6 m0 -122.8 -175.98 3.29 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.692 HG22 HD21 ' A' ' 32' ' ' LEU . 1.8 m -159.94 109.14 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.358 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.637 HG22 ' O ' ' A' ' 52' ' ' GLY . 0.2 OUTLIER -64.94 120.44 11.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.335 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.654 ' O ' HD12 ' A' ' 25' ' ' LEU . 4.3 pp -140.86 125.51 17.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 4.5 t60 59.15 42.16 19.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.543 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.568 ' HA ' HD11 ' A' ' 24' ' ' ILE . 8.7 m-70 61.87 19.68 10.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.578 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.1 mtpt -134.74 117.22 15.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.986 HG13 HG12 ' A' ' 76' ' ' ILE . 3.4 p -87.89 138.89 18.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.907 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 5.1 m-85 -120.54 131.98 54.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.985 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.59 ' CB ' HG22 ' A' ' 76' ' ' ILE . 11.6 t70 -92.59 83.44 4.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.242 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.692 HD21 HG22 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -91.51 24.62 2.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.425 ' HA ' HD12 ' A' ' 36' ' ' LEU . 0.7 OUTLIER -70.49 -22.0 62.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.382 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.1 -53.45 4.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.194 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.621 ' CZ ' ' HB2' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -79.69 5.83 12.32 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 110.96 -179.924 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.947 ' HG ' HD12 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -52.12 -37.36 53.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.377 179.93 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.38 -23.77 37.44 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.474 1.109 . . . . 0.0 110.319 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.97 -2.94 56.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 110.307 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.836 ' ND1' HD21 ' A' ' 46' ' ' LEU . 17.9 t-80 -89.31 128.23 52.11 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.565 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.593 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.3 Cg_endo -74.96 -6.19 17.76 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.447 1.762 . . . . 0.0 111.02 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.579 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -67.73 -81.84 0.17 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.455 1.097 . . . . 0.0 110.991 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.502 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.2 -165.23 30.45 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.444 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 18.9 tt0 -120.72 -22.01 6.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 0.756 . . . . 0.0 110.273 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -108.26 6.52 26.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.1 . . . . 0.0 110.33 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.718 HG22 HD23 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -100.17 -45.16 11.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.947 HD12 ' HG ' ' A' ' 36' ' ' LEU . 7.8 mt -59.82 -58.58 7.96 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.466 1.104 . . . . 0.0 109.372 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.7 ' HB3' HG21 ' A' ' 21' ' ' THR . 2.5 ptm180 -63.4 -27.88 69.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.392 1.058 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.57 -25.81 1.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.264 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.487 ' O ' HG12 ' A' ' 23' ' ' VAL . 14.5 mm100 -120.23 24.28 10.5 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.458 1.099 . . . . 0.0 110.281 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.715 ' CB ' HG23 ' A' ' 21' ' ' THR . . . -84.06 60.95 6.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -169.96 -38.02 0.03 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.531 1.144 . . . . 0.0 110.994 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.637 ' O ' HG22 ' A' ' 24' ' ' ILE . . . -111.78 -135.68 6.7 Favored Glycine 0 CA--C 1.531 1.055 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.462 ' HB2' HG22 ' A' ' 55' ' ' THR . 9.1 p-10 -109.78 117.41 33.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 0.768 . . . . 0.0 109.296 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -89.7 -16.72 29.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.462 HG22 ' HB2' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -49.53 -26.66 3.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.379 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.04 -41.78 61.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.421 1.076 . . . . 0.0 110.208 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.473 ' HB3' ' CBC' ' A' ' 95' ' ' HEM . 5.5 m-20 -84.61 -32.42 23.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.319 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.559 ' CD1' ' C ' ' A' ' 58' ' ' PHE . 1.0 OUTLIER -67.72 -39.67 84.29 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.499 1.125 . . . . 0.0 111.008 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.425 ' CG ' ' O ' ' A' ' 55' ' ' THR . 2.3 pp20? -77.68 -22.31 50.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.26 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.28 -57.58 10.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.466 1.104 . . . . 0.0 109.216 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.434 HG12 ' O ' ' A' ' 57' ' ' ASN . 0.6 OUTLIER -60.03 -18.1 15.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.1 79.07 0.23 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.513 1.133 . . . . 0.0 111.033 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.468 ' ND1' ' O ' ' A' ' 58' ' ' PHE . 52.1 m80 -74.79 139.96 43.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 0.764 . . . . 0.0 109.583 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 11.0 t -48.18 154.07 0.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.005 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.1 t -73.61 -26.62 60.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 110.431 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -99.55 20.66 13.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.084 . . . . 0.0 109.32 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.419 ' CG1' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -72.11 -44.29 65.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.269 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.419 ' N ' ' CG1' ' A' ' 67' ' ' VAL . 43.8 ttp180 -38.25 -38.98 0.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.423 1.077 . . . . 0.0 110.295 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -42.88 -27.73 0.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 110.217 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.415 ' N ' ' C ' ' A' ' 68' ' ' ARG . 1.6 mm? -68.68 -72.27 0.19 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 91.5 p -65.05 93.65 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.966 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.9 tptt -113.06 -71.58 0.75 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.456 1.097 . . . . 0.0 109.227 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.3 m -82.37 -22.2 35.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.362 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -62.62 -38.75 91.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.907 HD11 ' CZ ' ' A' ' 30' ' ' TYR . 1.0 OUTLIER -39.38 139.94 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.986 HG12 HG13 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -100.37 -44.75 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.377 179.915 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.63 ' CA ' HG21 ' A' ' 4' ' ' VAL . . . 155.44 -110.1 0.43 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.512 1.133 . . . . 0.0 110.936 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -170.04 119.68 0.61 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.446 0.733 . . . . 0.0 110.308 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.891 HD11 ' HB3' ' A' ' 84' ' ' ARG . 0.0 OUTLIER -52.42 160.73 0.78 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 109.253 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.821 ' HB2' HG22 ' A' ' 8' ' ' THR . 2.2 t-80 -34.02 138.53 0.3 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.623 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.553 ' HA ' ' CG ' ' A' ' 84' ' ' ARG . 18.4 Cg_endo -75.0 -22.1 15.16 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.547 1.814 . . . . 0.0 110.995 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.407 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 0.4 OUTLIER -80.39 -23.68 40.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.595 ' HB3' HD21 ' A' ' 79' ' ' LEU . 0.3 OUTLIER -83.85 -45.19 13.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.891 ' HB3' HD11 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -59.55 -35.62 74.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.331 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.48 ' N ' ' CD ' ' A' ' 84' ' ' ARG . 0.4 OUTLIER -76.91 -15.01 59.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.566 1.166 . . . . 0.0 110.013 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.73 -14.89 27.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.169 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.472 ' O ' HG22 ' A' ' 87' ' ' ILE . 12.8 mm -74.44 -0.68 2.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.259 -179.932 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' HEM . . . . . 0.57 ' C2A' ' HG2' ' A' ' 40' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.609 HG21 ' CA ' ' A' ' 77' ' ' GLY . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.564 ' HB3' ' CE2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -86.42 138.86 31.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.427 ' CG ' ' HD3' ' A' ' 81' ' ' PRO . 10.2 m-85 -93.8 96.17 9.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 111.027 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.564 ' CE2' ' HB3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -105.85 129.71 53.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 111.037 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.736 HG22 ' HB2' ' A' ' 80' ' ' HIS . 44.6 p -80.05 157.33 26.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.356 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.739 HD21 ' CG1' ' A' ' 87' ' ' ILE . 3.0 mp -37.16 -33.21 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 8' ' ' THR . 1.7 tt0 -44.55 -25.08 0.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.297 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.583 ' O ' ' CD2' ' A' ' 15' ' ' HIS . 24.8 mm-40 -96.87 -56.19 2.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.321 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.5 HD11 ' CB ' ' A' ' 79' ' ' LEU . 4.5 mt -50.46 -39.6 17.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 0.0 109.229 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.433 ' OE1' ' O ' ' A' ' 51' ' ' GLY . 28.1 mm100 -60.09 -40.96 91.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 110.355 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -74.67 -3.31 30.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.714 ' CD2' ' CH2' ' A' ' 22' ' ' TRP . 92.4 m-70 -109.91 46.28 1.03 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.597 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -110.07 49.44 0.84 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 18' ' ' SER . 5.2 m-20 -144.95 147.78 33.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 17' ' ' ASP . 22.4 p -37.9 -48.5 1.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.0 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.4 -60.92 2.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.418 ' O ' ' O ' ' A' ' 15' ' ' HIS . 0.3 OUTLIER -126.49 103.11 7.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 110.032 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.689 HG23 ' CB ' ' A' ' 50' ' ' ALA . 22.3 m -127.84 118.97 24.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 110.368 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.714 ' CH2' ' CD2' ' A' ' 15' ' ' HIS . 13.7 m0 -118.72 -179.14 3.71 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.707 HG13 ' O ' ' A' ' 22' ' ' TRP . 3.9 m -160.11 103.87 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.551 ' CG2' ' O ' ' A' ' 52' ' ' GLY . 0.9 OUTLIER -64.55 105.96 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.309 -179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.609 ' O ' HD12 ' A' ' 25' ' ' LEU . 3.9 pp -128.02 124.96 38.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 67.48 34.8 4.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.574 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.462 ' O ' ' NH2' ' A' ' 84' ' ' ARG . 10.7 m-70 70.02 6.5 5.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.579 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.427 ' HG3' ' NH2' ' A' ' 84' ' ' ARG . 13.3 mttt -121.6 129.01 52.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.903 HG13 HG12 ' A' ' 76' ' ' ILE . 8.9 p -94.92 129.44 45.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.679 ' CD2' HG22 ' A' ' 75' ' ' ILE . 7.1 m-85 -117.63 127.31 53.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.61 ' HB2' HG22 ' A' ' 76' ' ' ILE . 11.4 t70 -80.02 93.19 5.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.608 HD13 HBB2 ' A' ' 95' ' ' HEM . 1.0 OUTLIER -91.9 22.26 4.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.257 -179.922 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.572 ' HA ' HD12 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -78.25 -21.65 49.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.135 . . . . 0.0 110.46 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -90.16 -54.51 3.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.662 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -81.72 9.92 7.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.976 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.944 ' HG ' HD12 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -55.35 -46.61 76.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.402 1.064 . . . . 0.0 109.246 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.93 -24.1 60.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.55 -0.94 52.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.363 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.783 ' HD1' HD21 ' A' ' 46' ' ' LEU . 16.5 t-80 -95.05 128.2 39.9 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.554 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.612 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.3 Cg_endo -75.06 -4.6 15.62 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.518 1.799 . . . . 0.0 110.973 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.565 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -67.5 -81.32 0.18 Allowed Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.429 1.081 . . . . 0.0 110.974 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.493 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.14 -163.76 28.05 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.507 ' HA ' ' CD2' ' A' ' 36' ' ' LEU . 12.1 tt0 -121.19 -14.98 8.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 0.777 . . . . 0.0 110.3 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.505 ' HA ' ' CG ' ' A' ' 47' ' ' ARG . 0.8 OUTLIER -113.2 -20.05 11.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.29 179.925 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.493 ' CG1' ' HA3' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -70.51 -46.66 69.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.273 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.944 HD12 ' HG ' ' A' ' 36' ' ' LEU . 4.6 mt -57.85 -58.98 6.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.59 1.182 . . . . 0.0 109.274 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.743 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -61.74 -28.15 69.23 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 110.329 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' A' ' 44' ' ' GLU . 0.7 OUTLIER -46.3 -27.8 1.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 110.318 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 70.1 mm-40 -123.07 22.71 9.46 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.524 1.14 . . . . 0.0 110.286 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.743 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -80.98 59.12 3.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.35 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.433 ' O ' ' OE1' ' A' ' 13' ' ' GLN . . . -170.0 -36.15 0.03 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.438 1.086 . . . . 0.0 111.037 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.551 ' O ' ' CG2' ' A' ' 24' ' ' ILE . . . -108.78 -133.02 6.76 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.451 ' O ' ' CG ' ' A' ' 56' ' ' GLU . 39.3 p-10 -109.88 117.68 34.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.415 0.715 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.455 ' HB3' ' HB ' ' A' ' 23' ' ' VAL . . . -90.28 -20.71 22.63 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -49.47 -27.36 4.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 110.408 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.451 ' CG ' ' O ' ' A' ' 53' ' ' ASP . 0.1 OUTLIER -73.18 -43.22 61.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.11 . . . . 0.0 110.355 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.475 ' HB3' ' CBC' ' A' ' 95' ' ' HEM . 5.5 m120 -83.32 -31.79 26.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.421 1.076 . . . . 0.0 109.265 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.554 ' CD1' ' C ' ' A' ' 58' ' ' PHE . 0.7 OUTLIER -68.18 -39.57 82.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 111.073 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.401 ' CD ' ' C ' ' A' ' 59' ' ' GLU . 2.1 pp20? -78.65 -20.62 49.85 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.55 1.156 . . . . 0.0 110.292 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -62.9 -57.22 11.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.464 ' H ' HG12 ' A' ' 61' ' ' VAL . 0.5 OUTLIER -59.91 -18.73 16.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.76 77.7 0.32 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.45 1.094 . . . . 0.0 111.014 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.462 ' ND1' ' O ' ' A' ' 58' ' ' PHE . 50.5 m80 -73.31 140.14 46.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 0.741 . . . . 0.0 109.575 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 78.3 p -44.29 161.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.012 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.8 t -78.85 -10.95 59.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.443 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -99.94 9.96 42.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 70' ' ' LEU . 0.6 OUTLIER -81.29 -41.85 19.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 45.3 ttt180 -50.78 -33.76 24.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.358 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -93.38 18.85 9.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.261 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 67' ' ' VAL . 0.2 OUTLIER -96.66 -55.93 2.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.231 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.83 92.95 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 110.027 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.41 ' O ' ' CG1' ' A' ' 75' ' ' ILE . 0.0 OUTLIER -124.41 -38.54 2.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.0 m -94.54 -25.5 16.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.113 . . . . 0.0 110.337 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -100.03 39.93 1.29 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.8 ' O ' HD12 ' A' ' 75' ' ' ILE . 2.0 pp -117.39 141.18 37.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.903 HG12 HG13 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -102.31 -42.39 8.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 109.286 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.609 ' CA ' HG21 ' A' ' 4' ' ' VAL . . . 149.35 -116.4 0.79 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.503 1.127 . . . . 0.0 110.986 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.442 ' CB ' ' NH2' ' A' ' 84' ' ' ARG . 4.9 pt-20 -157.96 119.96 3.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.477 0.751 . . . . 0.0 110.334 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.816 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -46.42 162.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.736 ' HB2' HG22 ' A' ' 8' ' ' THR . 2.7 t-80 -36.18 144.97 0.24 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.561 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.52 ' HD2' ' CG ' ' A' ' 80' ' ' HIS . 18.6 Cg_endo -74.98 -21.85 15.46 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.497 1.788 . . . . 0.0 110.964 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -77.81 -54.02 6.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.69 -9.42 36.1 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.588 ' HG3' HD11 ' A' ' 79' ' ' LEU . 7.1 ttt180 -59.67 -32.29 70.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.605 1.191 . . . . 0.0 110.336 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.401 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 23.2 t -95.73 -4.86 43.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.995 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -75.35 -41.27 56.98 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.506 1.129 . . . . 0.0 109.254 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.739 ' CG1' HD21 ' A' ' 9' ' ' LEU . 6.2 mt -65.36 -13.24 14.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.532 1.145 . . . . 0.0 109.262 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 85' ' ' SER . . . . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' HEM . . . . . 0.608 HBB2 HD13 ' A' ' 32' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.656 HG21 ' CA ' ' A' ' 77' ' ' GLY . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.516 ' HB3' ' CE2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -84.9 136.76 33.5 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.262 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -92.61 92.3 7.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 0.0 110.97 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.522 ' O ' ' HB2' ' A' ' 79' ' ' LEU . 0.1 OUTLIER -102.21 129.62 48.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 111.032 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.755 HG22 ' CB ' ' A' ' 80' ' ' HIS . 52.2 p -81.09 164.35 22.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 110.348 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.75 HD21 HD11 ' A' ' 87' ' ' ILE . 4.2 mp -41.02 -37.13 0.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -47.78 -22.45 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 110.296 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.411 ' N ' ' C ' ' A' ' 9' ' ' LEU . 4.3 mm-40 -95.04 -54.93 3.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.14 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.403 ' H ' HD12 ' A' ' 12' ' ' ILE . 3.5 mp -58.93 -32.15 46.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.435 1.084 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.437 ' HA ' ' NE2' ' A' ' 13' ' ' GLN . 13.7 mm-40 -55.05 -41.43 71.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 110.272 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.32 -5.98 45.35 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.806 ' CD2' ' CH2' ' A' ' 22' ' ' TRP . 96.9 m-70 -109.24 44.24 1.18 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.594 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.4 tttp -110.22 59.01 0.61 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 18' ' ' SER . 0.5 OUTLIER -157.63 150.26 22.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.105 . . . . 0.0 109.263 -179.935 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 17' ' ' ASP . 17.8 p -37.99 -53.9 1.33 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.977 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.34 -55.32 4.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.41 ' O ' ' O ' ' A' ' 15' ' ' HIS . 0.2 OUTLIER -133.74 107.45 7.92 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 109.977 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.847 HG21 ' HB3' ' A' ' 47' ' ' ARG . 4.7 m -138.01 120.03 15.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.357 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.806 ' CH2' ' CD2' ' A' ' 15' ' ' HIS . 1.7 m0 -123.5 -173.4 2.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 107.984 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 1.062 HG22 HD21 ' A' ' 32' ' ' LEU . 14.1 m -159.78 110.73 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 109.256 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.763 HG22 ' HB ' ' A' ' 29' ' ' VAL . 1.2 pp -67.82 91.7 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.636 HD11 ' CE1' ' A' ' 30' ' ' TYR . 4.3 pp -111.6 137.39 49.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 50.12 47.51 23.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.666 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.442 ' CG ' ' HG3' ' A' ' 84' ' ' ARG . 5.3 m-70 56.1 20.3 4.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.598 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 25' ' ' LEU . 25.2 mtpt -137.67 116.22 12.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.971 HG13 HG12 ' A' ' 76' ' ' ILE . 4.4 p -85.83 137.28 21.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.866 ' CE2' HD11 ' A' ' 75' ' ' ILE . 4.2 m-85 -118.06 134.09 55.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.621 ' HB2' HG22 ' A' ' 76' ' ' ILE . 25.2 t0 -88.06 83.74 6.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 1.062 HD21 HG22 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -93.1 27.0 2.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.272 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.433 ' HA ' HD12 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -75.88 -24.12 55.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.389 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.432 ' HD2' HG22 ' A' ' 33' ' ' THR . 0.0 OUTLIER -90.04 -44.19 10.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 109.333 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.626 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -89.72 7.8 34.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.952 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.469 HD12 ' O ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -55.23 -43.1 74.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.02 -22.56 49.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.269 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -82.41 -2.46 53.16 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.466 1.104 . . . . 0.0 110.303 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.603 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 28.0 t-80 -94.19 131.72 30.84 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 109.595 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.603 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.5 Cg_endo -75.05 -8.55 20.12 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.443 1.759 . . . . 0.0 110.999 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.553 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -63.26 -79.24 0.16 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.497 1.123 . . . . 0.0 111.027 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.465 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.22 -165.54 30.93 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.431 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 12.9 tt0 -120.69 -14.79 8.53 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.495 0.762 . . . . 0.0 110.348 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.523 ' HA ' ' CG ' ' A' ' 47' ' ' ARG . 0.7 OUTLIER -114.45 -27.12 7.66 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.464 1.103 . . . . 0.0 110.309 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.484 ' HA ' ' HB2' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -71.72 -34.65 52.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.087 . . . . 0.0 109.29 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.536 HD21 ' HD1' ' A' ' 39' ' ' HIS . 3.5 mt -68.91 -44.65 72.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.258 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.847 ' HB3' HG21 ' A' ' 21' ' ' THR . 3.3 ptm180 -81.19 -23.68 37.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.318 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.484 ' HB2' ' HA ' ' A' ' 45' ' ' VAL . 0.6 OUTLIER -43.56 -25.38 0.16 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.495 1.122 . . . . 0.0 110.345 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.54 ' O ' HG12 ' A' ' 23' ' ' VAL . 15.0 mm100 -125.03 43.41 3.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 110.356 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.77 ' HB2' HG23 ' A' ' 21' ' ' THR . . . -93.34 53.26 1.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.2 -35.54 0.03 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.401 1.063 . . . . 0.0 111.051 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.442 ' O ' HG13 ' A' ' 24' ' ' ILE . . . -104.74 -140.89 10.61 Favored Glycine 0 CA--C 1.531 1.056 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.79 115.17 29.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 0.79 . . . . 0.0 109.264 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.505 ' O ' ' N ' ' A' ' 58' ' ' PHE . . . -90.73 -17.68 26.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.462 ' O ' ' CG ' ' A' ' 59' ' ' GLU . 0.3 OUTLIER -49.47 -25.98 3.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 110.428 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.45 -41.81 54.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 110.316 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -85.96 -28.21 24.4 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.569 ' CD1' ' C ' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -72.97 -39.56 66.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 110.957 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.462 ' CG ' ' O ' ' A' ' 55' ' ' THR . 2.2 pp20? -76.68 -20.36 56.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 110.251 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -58.26 -55.43 35.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.115 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.433 ' H ' HG12 ' A' ' 61' ' ' VAL . 1.2 p -63.31 -19.01 22.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.396 1.06 . . . . 0.0 109.336 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 70.55 76.83 0.51 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.446 1.091 . . . . 0.0 110.985 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.559 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 51.8 m80 -71.38 137.82 48.68 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.501 0.765 . . . . 0.0 109.598 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.7 m -48.32 155.47 0.5 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.598 1.186 . . . . 0.0 109.999 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.9 p -74.83 -23.71 58.49 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.424 1.077 . . . . 0.0 110.355 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -97.97 17.33 18.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 70' ' ' LEU . 1.1 p -70.27 -41.23 78.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.267 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.26 -35.14 0.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.28 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -52.12 -35.34 47.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 67' ' ' VAL . 2.9 mm? -62.0 -62.71 1.59 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.545 1.153 . . . . 0.0 109.36 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.15 57.33 0.65 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 110.011 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.42 -41.77 21.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.8 m -110.2 -8.58 14.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 110.396 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.595 ' CE2' ' HB2' ' A' ' 35' ' ' PHE . 17.6 m-85 -88.75 29.14 1.04 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.866 HD11 ' CE2' ' A' ' 30' ' ' TYR . 1.4 mm -103.36 150.44 6.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.155 . . . . 0.0 109.288 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.971 HG12 HG13 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -115.59 -45.38 4.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.219 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.656 ' CA ' HG21 ' A' ' 4' ' ' VAL . . . 154.53 -112.63 0.53 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.43 1.081 . . . . 0.0 111.037 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -167.08 119.66 0.95 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.405 0.709 . . . . 0.0 110.31 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.933 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -54.0 155.67 3.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.755 ' CB ' HG22 ' A' ' 8' ' ' THR . 3.6 t-80 -33.14 142.67 0.18 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.62 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.465 ' HD2' ' CG ' ' A' ' 80' ' ' HIS . 18.3 Cg_endo -75.11 -36.14 2.66 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.492 1.786 . . . . 0.0 110.961 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.99 -44.58 95.63 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.538 1.149 . . . . 0.0 109.277 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.78 -36.08 77.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.343 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.817 ' HB2' HD11 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -64.41 -38.92 92.74 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.57 1.169 . . . . 0.0 110.269 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.14 -14.25 58.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.98 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -80.05 -25.29 40.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 109.362 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.75 HD11 HD21 ' A' ' 9' ' ' LEU . 20.0 mt -80.8 3.18 2.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.444 1.09 . . . . 0.0 109.312 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.974 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' HEM . . . . . 0.712 ' CBB' HD22 ' A' ' 32' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.436 HG11 ' HG2' ' A' ' 78' ' ' GLU . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.591 ' O ' ' CE2' ' A' ' 7' ' ' TYR . 0.1 OUTLIER -90.76 131.84 36.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -88.42 94.7 9.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 111.006 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.591 ' CE2' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -103.2 129.74 50.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 111.035 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.704 HG22 ' HB2' ' A' ' 80' ' ' HIS . 59.8 p -78.45 161.25 27.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.417 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.685 HD21 HD11 ' A' ' 87' ' ' ILE . 3.8 mp -40.26 -29.8 0.09 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.562 1.164 . . . . 0.0 109.256 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.449 ' N ' ' C ' ' A' ' 8' ' ' THR . 2.2 tt0 -51.98 -19.36 1.79 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.314 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.6 ' O ' ' CD2' ' A' ' 15' ' ' HIS . 0.6 OUTLIER -99.95 -54.82 2.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 110.373 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.4 mp -59.77 -28.51 40.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.411 ' OE1' ' CA ' ' A' ' 51' ' ' GLY . 22.1 mm100 -62.18 -43.05 99.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.55 -7.52 52.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.559 1.162 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.794 ' CD2' ' CH2' ' A' ' 22' ' ' TRP . 90.8 m-70 -105.21 46.04 0.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.589 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.3 tttp -110.14 58.06 0.61 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 20' ' ' SER . 12.1 m-20 -148.78 155.3 40.76 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 75.1 p -46.5 -44.68 17.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.042 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.1 ptmt -57.99 -41.35 82.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.344 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 17' ' ' ASP . 0.9 OUTLIER -140.03 112.29 7.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.972 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.847 HG21 ' HB3' ' A' ' 47' ' ' ARG . 3.4 m -145.36 113.45 6.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.359 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.794 ' CH2' ' CD2' ' A' ' 15' ' ' HIS . 3.6 m0 -117.1 -179.03 3.58 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.911 HG22 HD21 ' A' ' 32' ' ' LEU . 10.6 m -157.02 106.64 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.557 1.161 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.594 HD13 ' C ' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -67.08 105.26 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.464 ' O ' HD12 ' A' ' 25' ' ' LEU . 3.8 pp -125.95 128.15 47.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.349 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 43.8 t60 59.33 35.54 23.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 109.616 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.522 ' CG ' ' HG3' ' A' ' 84' ' ' ARG . 1.4 m170 69.96 4.93 5.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 109.607 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.3 mmmm -121.04 110.13 15.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 1.002 HG13 HG12 ' A' ' 76' ' ' ILE . 4.3 p -86.4 137.76 20.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.257 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.961 ' CE2' HD11 ' A' ' 75' ' ' ILE . 3.4 m-85 -118.76 137.18 53.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.954 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.553 ' CB ' HG22 ' A' ' 76' ' ' ILE . 27.8 t0 -93.86 80.15 4.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 109.335 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.911 HD21 HG22 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -84.23 16.43 3.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.458 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 0.5 OUTLIER -63.85 -20.8 66.09 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 110.406 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.28 -53.01 4.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.582 1.176 . . . . 0.0 109.28 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.678 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -85.13 12.73 7.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.978 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.468 ' HB2' ' O ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -59.04 -32.06 69.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -88.39 -18.19 28.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.429 1.081 . . . . 0.0 110.217 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.37 -4.26 59.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.304 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.62 ' HB2' ' CZ ' ' A' ' 35' ' ' PHE . 31.1 t-80 -88.79 131.46 41.46 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.591 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.61 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.3 Cg_endo -74.99 0.14 9.26 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.415 1.745 . . . . 0.0 110.967 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.583 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -74.0 -79.56 0.52 Allowed Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.564 1.165 . . . . 0.0 110.961 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.51 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.07 -163.59 27.73 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.425 ' HA ' HD23 ' A' ' 36' ' ' LEU . 18.5 tt0 -123.63 -16.88 6.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.421 0.718 . . . . 0.0 110.275 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.431 ' O ' ' OE2' ' A' ' 48' ' ' GLU . 0.2 OUTLIER -115.53 -12.16 11.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.289 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.51 ' CG1' ' HA3' ' A' ' 42' ' ' GLY . 0.2 OUTLIER -89.76 -23.49 6.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.287 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.531 HD21 ' HD1' ' A' ' 39' ' ' HIS . 5.6 mt -79.57 -36.74 37.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.847 ' HB3' HG21 ' A' ' 21' ' ' THR . 1.6 ptt180 -87.59 -21.97 25.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 110.285 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.431 ' OE2' ' O ' ' A' ' 44' ' ' GLU . 1.0 OUTLIER -48.25 -26.1 1.82 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 110.288 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -117.9 24.08 11.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 110.321 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.808 ' CB ' HG23 ' A' ' 21' ' ' THR . . . -86.63 62.23 7.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.575 1.172 . . . . 0.0 109.321 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.411 ' CA ' ' OE1' ' A' ' 13' ' ' GLN . . . -170.07 -36.89 0.03 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.55 1.156 . . . . 0.0 111.014 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.545 ' O ' HG22 ' A' ' 24' ' ' ILE . . . -115.31 -125.61 3.97 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -109.78 121.57 45.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 0.77 . . . . 0.0 109.268 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.472 ' CB ' ' HB ' ' A' ' 23' ' ' VAL . . . -92.3 -21.83 20.07 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.583 ' HA ' ' HB3' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -49.38 -44.74 45.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.567 1.167 . . . . 0.0 110.389 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.89 -34.5 9.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.453 1.096 . . . . 0.0 110.298 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.534 ' O ' HG12 ' A' ' 61' ' ' VAL . 4.6 m-80 -100.28 -44.02 6.08 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.562 1.164 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.583 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 0.7 OUTLIER -58.52 -39.99 81.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.525 ' HB2' ' O ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -81.58 -16.66 50.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 110.35 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.453 ' HB3' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -70.83 -53.81 13.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 0.0 109.261 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.534 HG12 ' O ' ' A' ' 57' ' ' ASN . 0.8 OUTLIER -59.8 -19.37 17.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.521 1.138 . . . . 0.0 109.307 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 69.24 78.22 0.36 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.488 1.117 . . . . 0.0 110.926 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.489 ' ND1' ' O ' ' A' ' 58' ' ' PHE . 49.8 m80 -73.92 140.01 45.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 0.785 . . . . 0.0 109.592 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -46.35 151.89 0.48 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 110.036 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 53.0 p -73.22 -26.35 61.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 0.0 110.401 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -95.51 15.7 19.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.279 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.467 HG11 ' HB3' ' A' ' 63' ' ' HIS . 1.8 p -74.65 -12.43 15.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.612 1.195 . . . . 0.0 109.328 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.08 -12.4 50.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.429 1.081 . . . . 0.0 110.354 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -87.72 -11.1 49.24 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.601 1.188 . . . . 0.0 110.296 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -78.4 -67.2 0.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.348 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.3 t -87.18 91.58 8.76 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 110.001 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.18 -52.16 2.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.444 HG22 ' CD1' ' A' ' 74' ' ' TYR . 0.6 OUTLIER -81.22 -27.59 35.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 110.42 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.444 ' CD1' HG22 ' A' ' 73' ' ' THR . 8.5 m-85 -76.3 2.36 13.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 110.937 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.961 HD11 ' CE2' ' A' ' 30' ' ' TYR . 1.3 mm -69.84 148.18 11.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.485 1.115 . . . . 0.0 109.25 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 1.002 HG12 HG13 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -113.57 -42.44 3.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 109.289 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 149.22 -119.49 1.06 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.42 1.075 . . . . 0.0 111.033 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.436 ' HG2' HG11 ' A' ' 4' ' ' VAL . 7.0 pt-20 -160.74 119.76 2.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 0.758 . . . . 0.0 110.346 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.865 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -52.65 161.07 0.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.283 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.704 ' HB2' HG22 ' A' ' 8' ' ' THR . 3.0 t-80 -36.49 139.1 0.46 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.586 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -21.01 16.45 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.507 1.793 . . . . 0.0 111.038 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.498 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 0.3 OUTLIER -79.08 -40.81 30.22 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -72.01 -32.5 67.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.758 ' HB2' HD11 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -62.56 -34.28 76.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.259 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.42 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 30.4 t -89.45 -15.48 33.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 110.009 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 8.4 mmtt -68.31 -35.45 77.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.15 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.685 HD11 HD21 ' A' ' 9' ' ' LEU . 24.1 mt -71.62 -9.1 12.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 85' ' ' SER . . . . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' HEM . . . . . 0.766 ' CBB' HD22 ' A' ' 32' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.607 HG21 ' CA ' ' A' ' 77' ' ' GLY . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.549 ' HB3' ' CE2' ' A' ' 7' ' ' TYR . 0.3 OUTLIER -84.21 136.53 33.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -93.6 94.87 8.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 111.035 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.549 ' CE2' ' HB3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -105.13 129.79 53.45 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.549 1.156 . . . . 0.0 110.991 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.525 HG22 ' HB2' ' A' ' 80' ' ' HIS . 42.8 p -76.62 160.0 29.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.409 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.563 ' O ' ' CG ' ' A' ' 13' ' ' GLN . 1.3 mp -35.61 -41.77 0.21 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 9' ' ' LEU . 49.9 tt0 -38.24 -28.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.48 1.113 . . . . 0.0 110.282 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.548 ' OE2' ' CG ' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -95.45 -53.15 3.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.321 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.646 HD11 ' HB3' ' A' ' 79' ' ' LEU . 34.3 mt -53.38 -34.98 23.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.563 ' CG ' ' O ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -81.96 -23.33 36.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 110.333 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.19 -14.68 60.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.406 1.066 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.475 ' ND1' ' CZ2' ' A' ' 22' ' ' TRP . 7.3 m170 -116.35 54.56 0.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 109.561 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.5 ' HG3' ' HB3' ' A' ' 50' ' ' ALA . 0.8 OUTLIER -109.11 66.88 0.64 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.122 . . . . 0.0 109.254 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 20' ' ' SER . 16.2 m-20 -150.47 157.94 43.59 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.557 1.161 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.8 t -48.43 -44.72 35.44 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.438 1.086 . . . . 0.0 110.029 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.436 ' O ' HG21 ' A' ' 33' ' ' THR . 0.0 OUTLIER -59.78 -41.56 91.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 17' ' ' ASP . 0.2 OUTLIER -140.04 115.4 9.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.988 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.84 HG21 ' HB3' ' A' ' 47' ' ' ARG . 2.2 m -150.26 126.58 10.72 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.479 1.112 . . . . 0.0 110.376 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.702 ' O ' HG13 ' A' ' 23' ' ' VAL . 1.6 m0 -124.81 -174.34 3.01 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.702 HG13 ' O ' ' A' ' 22' ' ' TRP . 3.2 m -160.05 111.69 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.607 ' CD1' HD12 ' A' ' 79' ' ' LEU . 1.1 tt -69.25 100.01 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.144 . . . . 0.0 109.347 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.47 ' HG ' ' CD1' ' A' ' 30' ' ' TYR . 3.8 pp -118.94 124.77 47.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.152 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 77.0 m80 65.78 37.1 5.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.577 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 19.7 m170 66.55 12.43 8.74 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.388 1.055 . . . . 0.0 109.634 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.404 ' O ' ' CE1' ' A' ' 30' ' ' TYR . 32.0 mtpt -126.83 121.98 33.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.437 1.086 . . . . 0.0 109.255 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.911 HG13 HG12 ' A' ' 76' ' ' ILE . 10.5 p -90.24 133.24 32.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.726 ' CD2' HG22 ' A' ' 75' ' ' ILE . 29.0 m-85 -121.46 133.54 55.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 110.988 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.559 ' CB ' HG22 ' A' ' 76' ' ' ILE . 14.3 t0 -91.44 92.14 8.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 109.271 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.508 HD23 ' O ' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -100.8 20.15 15.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.44 ' HB ' ' OD1' ' A' ' 31' ' ' ASP . 0.4 OUTLIER -66.58 -21.75 66.14 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.376 1.048 . . . . 0.0 110.375 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.6 tppt? -82.81 -50.88 8.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.22 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.555 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -87.91 7.21 31.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.973 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -55.34 -37.69 67.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.358 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.18 -21.85 39.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.293 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -85.81 -7.58 58.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.24 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.593 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 34.7 t-80 -83.66 133.18 47.09 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.546 1.154 . . . . 0.0 109.576 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.593 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.3 Cg_endo -75.09 -15.44 20.55 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.494 1.786 . . . . 0.0 110.999 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.583 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -56.22 -80.63 0.08 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.581 1.176 . . . . 0.0 110.984 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.489 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.05 -164.49 29.18 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.419 ' O ' ' CG ' ' A' ' 43' ' ' GLU . 7.3 tt0 -123.27 -12.81 7.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 0.753 . . . . 0.0 110.252 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -119.48 -1.55 10.68 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.517 1.136 . . . . 0.0 110.342 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.489 ' CG1' ' HA3' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -100.18 -26.96 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.498 HD21 ' HD1' ' A' ' 39' ' ' HIS . 1.9 mt -79.56 -33.84 41.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.421 1.076 . . . . 0.0 109.343 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.84 ' HB3' HG21 ' A' ' 21' ' ' THR . 5.2 ptm180 -91.38 -17.58 25.61 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 110.313 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -56.88 -16.47 6.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.349 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.614 ' O ' HG12 ' A' ' 23' ' ' VAL . 18.3 mm100 -121.17 30.23 6.92 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.241 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.822 ' HB2' HG23 ' A' ' 21' ' ' THR . . . -87.0 52.85 2.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.16 -35.46 0.03 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.584 1.178 . . . . 0.0 111.033 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.524 ' O ' ' CG2' ' A' ' 24' ' ' ILE . . . -109.93 -138.85 8.15 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -109.71 120.53 42.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.432 0.724 . . . . 0.0 109.341 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.422 ' HB1' ' CMC' ' A' ' 95' ' ' HEM . . . -87.7 -18.3 29.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.337 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.573 ' HA ' ' HB3' ' A' ' 58' ' ' PHE . 0.5 OUTLIER -49.47 -50.57 40.69 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 110.408 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -44.02 -32.97 1.29 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.289 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.5 ' CB ' ' CBC' ' A' ' 95' ' ' HEM . 18.6 m-20 -99.1 -50.39 4.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.573 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 1.3 t80 -51.52 -39.87 58.52 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 111.031 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.456 ' HB2' ' O ' ' A' ' 55' ' ' THR . 0.2 OUTLIER -78.66 -23.66 45.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 110.339 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.482 ' HB3' ' O ' ' A' ' 57' ' ' ASN . 23.6 t0 -64.3 -56.48 14.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.483 HG12 ' O ' ' A' ' 57' ' ' ASN . 0.3 OUTLIER -59.9 -17.44 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 66.1 79.46 0.2 Allowed Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.528 1.142 . . . . 0.0 111.0 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.472 ' ND1' ' O ' ' A' ' 58' ' ' PHE . 56.6 m80 -75.86 138.93 41.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.421 0.718 . . . . 0.0 109.562 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.404 ' O ' ' HB ' ' A' ' 67' ' ' VAL . 2.6 m -53.64 161.01 1.16 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.999 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.3 m -78.65 -9.29 59.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.384 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.41 ' O ' ' CD ' ' A' ' 69' ' ' GLU . 45.5 m-20 -100.1 7.53 44.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.34 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.458 HG22 ' HHB' ' A' ' 95' ' ' HEM . 0.5 OUTLIER -74.68 -30.32 24.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.414 1.071 . . . . 0.0 109.3 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.1 ptt85 -62.08 -30.84 71.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 110.298 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.41 ' CD ' ' O ' ' A' ' 66' ' ' ASP . 5.2 pt-20 -62.49 -17.44 59.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 110.307 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.505 HD23 ' HA ' ' A' ' 70' ' ' LEU . 7.2 mt -89.94 -40.75 12.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.662 ' O ' HG23 ' A' ' 75' ' ' ILE . 1.0 OUTLIER -67.35 -29.5 69.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.015 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 71' ' ' SER . 1.8 mmtt -39.41 -39.69 0.71 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.6 m -87.34 -34.92 18.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 110.41 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.461 ' N ' ' O ' ' A' ' 71' ' ' SER . 5.0 m-85 -100.03 57.69 0.98 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.084 . . . . 0.0 110.989 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.726 HG22 ' CD2' ' A' ' 30' ' ' TYR . 2.2 pp -123.92 162.16 25.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.911 HG12 HG13 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -125.47 -44.45 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.607 ' CA ' HG21 ' A' ' 4' ' ' VAL . . . 153.02 -114.16 0.61 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.465 1.103 . . . . 0.0 111.017 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -165.44 119.79 1.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 0.727 . . . . 0.0 110.338 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.864 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -47.93 162.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.582 1.176 . . . . 0.0 109.314 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.573 ' N ' HD22 ' A' ' 79' ' ' LEU . 4.0 t-80 -40.58 143.42 0.68 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.105 . . . . 0.0 109.625 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.491 ' HD2' ' CG ' ' A' ' 80' ' ' HIS . 18.2 Cg_endo -75.01 -28.27 9.29 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.451 1.763 . . . . 0.0 111.018 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -71.67 -42.88 66.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.243 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.86 -30.99 66.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.314 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.702 ' HB2' HD11 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -60.17 -34.09 73.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.271 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 29.1 t -83.17 -8.95 59.42 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 109.931 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -89.35 -24.16 22.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.272 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.7 mt -61.97 -13.52 9.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.338 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 -179.972 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' HEM . . . . . 0.551 HMC3 ' HB2' ' A' ' 58' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.744 HG21 ' CA ' ' A' ' 77' ' ' GLY . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.501 ' O ' ' CE2' ' A' ' 7' ' ' TYR . 22.3 tttt -87.7 139.28 30.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -93.13 90.93 7.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 111.04 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.501 ' CE2' ' O ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -98.57 129.7 45.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 111.036 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.53 HG22 ' HB2' ' A' ' 80' ' ' HIS . 14.9 p -78.34 155.47 30.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 110.409 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.695 ' CD2' HD11 ' A' ' 87' ' ' ILE . 3.2 mp -39.69 -31.92 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.428 ' N ' ' C ' ' A' ' 8' ' ' THR . 1.4 tt0 -48.62 -26.09 2.08 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.525 1.141 . . . . 0.0 110.282 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.408 ' OE1' ' HB3' ' A' ' 10' ' ' GLU . 2.7 mm-40 -97.25 -55.74 2.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.584 1.178 . . . . 0.0 110.213 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.424 HG23 ' HB2' ' A' ' 22' ' ' TRP . 3.0 mp -49.17 -38.52 11.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.408 ' OE1' ' HA ' ' A' ' 13' ' ' GLN . 37.0 mm-40 -54.46 -26.44 31.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.607 1.192 . . . . 0.0 110.332 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.13 -8.52 56.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.265 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.811 ' CE1' ' CZ2' ' A' ' 22' ' ' TRP . 36.4 m-70 -108.97 51.16 0.75 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.514 1.134 . . . . 0.0 109.598 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.5 ttpt -110.14 52.43 0.73 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -160.14 163.33 33.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.7 p -50.64 -49.83 55.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 110.006 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.86 -46.65 21.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -139.91 114.17 9.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.987 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.823 HG23 ' HB2' ' A' ' 50' ' ' ALA . 1.3 m -136.35 115.92 12.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.339 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.811 ' CZ2' ' CE1' ' A' ' 15' ' ' HIS . 41.2 m0 -114.56 175.42 5.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.467 1.104 . . . . 0.0 108.034 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 23' ' ' VAL . 26.6 m -157.7 99.29 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.595 ' CD1' HD12 ' A' ' 79' ' ' LEU . 4.0 tp -69.19 100.09 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.502 HD23 HG23 ' A' ' 23' ' ' VAL . 4.3 pp -118.97 136.0 54.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.549 ' O ' ' CG ' ' A' ' 27' ' ' HIS . 24.1 m-70 46.04 51.65 10.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 109.585 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.549 ' CG ' ' O ' ' A' ' 26' ' ' HIS . 21.2 p-80 53.24 28.29 7.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.624 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.44 ' HG2' ' O ' ' A' ' 26' ' ' HIS . 10.2 mmmm -140.72 109.56 6.04 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.566 1.166 . . . . 0.0 109.286 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.98 HG13 HG12 ' A' ' 76' ' ' ILE . 11.1 p -88.76 138.75 18.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 1.016 ' CE2' HD11 ' A' ' 75' ' ' ILE . 5.8 m-85 -123.96 145.45 49.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.534 1.146 . . . . 0.0 111.013 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.659 ' CB ' HG22 ' A' ' 76' ' ' ILE . 8.2 t70 -97.61 99.6 10.99 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.732 HD22 ' N ' ' A' ' 32' ' ' LEU . 0.5 OUTLIER -94.56 -3.4 49.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.423 ' HA ' HD12 ' A' ' 36' ' ' LEU . 0.4 OUTLIER -52.72 -18.43 1.82 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.597 1.186 . . . . 0.0 110.334 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -90.19 -57.02 2.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.335 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.735 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -89.41 21.16 3.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.586 1.178 . . . . 0.0 110.977 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.563 ' N ' ' O ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -60.84 -41.02 95.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -83.01 -18.17 40.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.338 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -86.74 -5.3 59.16 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.538 1.149 . . . . 0.0 110.241 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.6 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 25.1 t-80 -86.06 130.22 51.03 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.634 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.6 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.3 Cg_endo -75.07 -3.55 14.09 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.476 1.777 . . . . 0.0 111.007 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.599 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -67.76 -80.42 0.21 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.535 1.147 . . . . 0.0 110.965 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.455 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.08 -166.92 32.92 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.434 ' O ' ' CG ' ' A' ' 43' ' ' GLU . 7.0 tt0 -122.74 -10.88 8.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 0.749 . . . . 0.0 110.315 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.433 ' O ' ' HB2' ' A' ' 48' ' ' GLU . 9.8 pm0 -119.48 -1.89 10.62 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.522 1.139 . . . . 0.0 110.281 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.455 ' CG1' ' HA3' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -100.35 -28.67 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.524 HD21 ' HD1' ' A' ' 39' ' ' HIS . 1.2 mt -77.27 -32.39 55.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.403 ' HG2' ' O ' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -88.61 -21.47 23.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.245 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.433 ' HB2' ' O ' ' A' ' 44' ' ' GLU . 0.5 OUTLIER -63.03 -12.93 29.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.158 . . . . 0.0 110.322 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.511 ' OE1' ' CB ' ' A' ' 57' ' ' ASN . 1.2 mt-30 -135.71 41.14 2.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.352 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.823 ' HB2' HG23 ' A' ' 21' ' ' THR . . . -104.09 60.7 0.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.418 1.074 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.26 -37.39 0.03 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.538 1.149 . . . . 0.0 110.969 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -106.26 -138.38 9.09 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.45 ' HB2' HG22 ' A' ' 55' ' ' THR . 6.9 p-10 -110.0 116.59 31.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.582 0.813 . . . . 0.0 109.275 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.508 ' O ' ' N ' ' A' ' 58' ' ' PHE . . . -92.72 -12.4 31.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.45 HG22 ' HB2' ' A' ' 53' ' ' ASP . 0.6 OUTLIER -49.45 -24.88 2.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.566 1.166 . . . . 0.0 110.39 179.904 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.6 -43.18 39.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.164 . . . . 0.0 110.374 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.511 ' CB ' ' OE1' ' A' ' 49' ' ' GLN . 1.3 m120 -84.62 -29.28 25.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.581 ' CE1' ' HB2' ' A' ' 63' ' ' HIS . 1.1 t80 -71.04 -39.71 72.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.45 ' CG ' ' O ' ' A' ' 55' ' ' THR . 1.6 pp20? -76.66 -21.2 55.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 110.242 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -59.72 -57.42 12.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.117 . . . . 0.0 109.347 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -62.13 -16.63 16.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 109.324 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 66.87 80.64 0.18 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.533 1.146 . . . . 0.0 111.015 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.581 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 59.9 m80 -73.0 140.04 47.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 0.741 . . . . 0.0 109.593 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.03 139.9 58.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 110.015 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.3 t -59.75 -15.65 21.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 110.427 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.4 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 0.4 OUTLIER -85.79 8.0 21.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.427 1.08 . . . . 0.0 109.304 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.415 ' CG2' ' HHB' ' A' ' 95' ' ' HEM . 2.6 p -84.9 -23.8 7.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.351 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.6 tpp85 -53.67 -27.91 30.36 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 66' ' ' ASP . 2.5 pt-20 -86.68 -26.98 24.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.452 ' HG ' HMA1 ' A' ' 95' ' ' HEM . 1.2 mm? -55.63 -60.3 3.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.582 1.176 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.406 ' HB3' HMB1 ' A' ' 95' ' ' HEM . 6.4 p -85.32 61.82 7.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.969 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.26 -46.03 11.41 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.3 m -94.93 -12.72 26.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.375 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 6.5 m-30 -89.49 22.81 2.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 111.038 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 1.016 HD11 ' CE2' ' A' ' 30' ' ' TYR . 0.9 OUTLIER -94.42 148.36 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.155 . . . . 0.0 109.295 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.98 HG12 HG13 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -114.24 -41.33 3.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.744 ' CA ' HG21 ' A' ' 4' ' ' VAL . . . 150.49 -113.06 0.57 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.479 1.112 . . . . 0.0 111.076 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.485 ' HA ' HG12 ' A' ' 29' ' ' VAL . 16.9 pt-20 -170.12 119.85 0.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 0.77 . . . . 0.0 110.32 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.963 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -53.17 157.03 1.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.083 . . . . 0.0 109.286 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.531 ' N ' HD22 ' A' ' 79' ' ' LEU . 5.0 t-80 -35.92 142.35 0.3 Allowed Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 0.0 109.586 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.465 ' HD2' ' CG ' ' A' ' 80' ' ' HIS . 18.3 Cg_endo -74.98 -29.07 8.64 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.518 1.799 . . . . 0.0 110.94 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -71.73 -42.59 67.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.4 ' CG ' ' HB ' ' A' ' 8' ' ' THR . 1.5 m-20 -70.79 -32.72 69.91 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 109.343 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.826 ' HB2' HD11 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -61.35 -32.48 72.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.339 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 42.5 t -88.18 -11.45 46.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.998 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.67 -30.51 41.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.695 HD11 ' CD2' ' A' ' 9' ' ' LEU . 6.6 mm -67.96 -9.27 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.464 1.103 . . . . 0.0 109.238 179.959 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' HEM . . . . . 0.512 ' CBB' HD11 ' A' ' 32' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.543 HG21 ' CA ' ' A' ' 77' ' ' GLY . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.589 ' O ' ' CE2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -84.25 130.92 34.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.449 1.093 . . . . 0.0 109.315 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -89.39 94.25 9.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 111.07 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.589 ' CE2' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -99.62 129.87 45.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.973 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.549 HG22 ' HB2' ' A' ' 80' ' ' HIS . 6.9 p -80.72 157.13 25.95 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 110.398 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.874 HD21 HD11 ' A' ' 87' ' ' ILE . 2.9 mp -36.46 -34.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.27 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 8' ' ' THR . 1.7 tt0 -43.15 -25.98 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.353 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.59 ' O ' ' CD2' ' A' ' 15' ' ' HIS . 12.0 mm-40 -96.85 -56.36 2.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.42 1.075 . . . . 0.0 110.264 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.636 ' H ' HD12 ' A' ' 12' ' ' ILE . 4.8 mp -51.21 -38.28 18.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.568 1.167 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -59.35 -42.72 92.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.44 1.087 . . . . 0.0 110.337 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.83 -6.19 47.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.812 ' CD2' ' CH2' ' A' ' 22' ' ' TRP . 87.6 m-70 -106.2 45.23 0.99 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.669 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.5 ttpt -110.31 56.83 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.565 1.166 . . . . 0.0 109.286 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.87 154.07 33.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 109.243 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.42 ' O ' ' OG1' ' A' ' 33' ' ' THR . 76.5 p -42.97 -46.41 5.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.973 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -50.09 -56.99 8.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.415 ' O ' ' O ' ' A' ' 15' ' ' HIS . 0.5 OUTLIER -130.71 110.9 11.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.001 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.871 HG23 ' HB2' ' A' ' 50' ' ' ALA . 3.2 m -143.17 118.28 10.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.339 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.812 ' CH2' ' CD2' ' A' ' 15' ' ' HIS . 1.1 m0 -124.47 -178.08 4.01 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.591 HG22 HD21 ' A' ' 32' ' ' LEU . 16.2 m -157.26 110.37 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.516 HG22 ' O ' ' A' ' 52' ' ' GLY . 4.7 tt -57.28 118.99 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.359 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.927 HD12 ' CE1' ' A' ' 30' ' ' TYR . 43.4 mt -100.16 51.79 0.9 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.475 1.11 . . . . 0.0 109.331 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.416 ' O ' ' HE3' ' A' ' 28' ' ' LYS . 0.1 OUTLIER 70.35 70.95 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 109.615 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.65 ' CE1' ' HA ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER 70.85 36.65 1.47 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.617 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.43 ' HB3' ' HE2' ' A' ' 28' ' ' LYS . 0.6 OUTLIER -170.34 89.07 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.92 HG13 HG12 ' A' ' 76' ' ' ILE . 3.9 p -81.22 145.86 8.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.261 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.931 ' CE2' HD11 ' A' ' 75' ' ' ILE . 5.7 m-85 -122.99 133.92 54.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 1.109 . . . . 0.0 110.969 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.643 ' CB ' HG22 ' A' ' 76' ' ' ILE . 7.2 t0 -90.42 88.01 7.01 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.437 1.085 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.603 HD23 ' O ' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -96.65 17.07 17.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.51 ' HA ' HD12 ' A' ' 36' ' ' LEU . 0.6 OUTLIER -65.5 -18.12 65.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 110.374 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.99 -53.42 4.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.582 1.176 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.59 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -84.22 10.33 10.63 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.508 1.13 . . . . 0.0 110.962 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.51 HD12 ' HA ' ' A' ' 33' ' ' THR . 0.2 OUTLIER -55.53 -45.1 77.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.48 -23.9 53.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.603 1.19 . . . . 0.0 110.287 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -82.8 -4.91 58.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 110.309 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.584 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 33.2 t-80 -86.75 132.7 41.5 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.439 1.087 . . . . 0.0 109.58 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.584 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.5 Cg_endo -74.95 -15.18 21.02 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.443 1.76 . . . . 0.0 111.043 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.583 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -57.37 -81.19 0.07 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.447 1.092 . . . . 0.0 111.035 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.507 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.2 -165.3 30.55 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 9.9 tt0 -122.42 -13.58 8.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.564 0.802 . . . . 0.0 110.282 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -118.36 -1.03 11.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 110.337 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.507 ' CG1' ' HA3' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -100.05 -30.08 3.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.532 HD21 ' HD1' ' A' ' 39' ' ' HIS . 1.8 mt -75.67 -37.47 59.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.583 ' HB3' HG21 ' A' ' 21' ' ' THR . 5.4 ptm180 -86.9 -22.33 25.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.412 1.07 . . . . 0.0 110.237 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.413 ' HB2' ' HA ' ' A' ' 45' ' ' VAL . 0.0 OUTLIER -47.43 -24.79 0.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 110.283 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.465 ' O ' HG12 ' A' ' 23' ' ' VAL . 26.3 mm100 -122.35 33.74 5.37 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.093 . . . . 0.0 110.329 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.871 ' HB2' HG23 ' A' ' 21' ' ' THR . . . -84.78 52.91 2.53 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.19 -35.91 0.03 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.454 1.096 . . . . 0.0 110.977 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.516 ' O ' HG22 ' A' ' 24' ' ' ILE . . . -104.93 -142.15 11.24 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.426 ' HB2' HG22 ' A' ' 55' ' ' THR . 7.6 p-10 -110.0 118.88 37.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.438 0.728 . . . . 0.0 109.287 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.464 ' HB3' ' HB ' ' A' ' 23' ' ' VAL . . . -94.16 -14.52 25.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.615 1.197 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.446 ' O ' ' CG ' ' A' ' 59' ' ' GLU . 0.5 OUTLIER -49.64 -27.02 4.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.575 1.172 . . . . 0.0 110.408 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.81 -45.21 62.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.477 ' CB ' HBC1 ' A' ' 95' ' ' HEM . 83.2 m-20 -83.63 -30.78 26.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.568 ' CD1' ' C ' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -69.1 -39.5 78.93 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.41 1.069 . . . . 0.0 110.994 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.446 ' CG ' ' O ' ' A' ' 55' ' ' THR . 2.6 pp20? -76.44 -23.05 53.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.41 ' HB3' ' O ' ' A' ' 57' ' ' ASN . 3.0 t0 -59.27 -58.19 9.74 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.536 1.147 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -60.08 -19.05 17.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.61 79.68 0.23 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.534 ' CE1' ' NC ' ' A' ' 95' ' ' HEM . 61.6 m80 -72.28 133.8 45.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 0.778 . . . . 0.0 109.616 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.473 ' O ' ' HB ' ' A' ' 67' ' ' VAL . 24.9 p -63.84 163.42 11.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.98 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 52.3 m -72.79 -6.57 45.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.427 1.079 . . . . 0.0 110.375 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.402 ' O ' ' CD ' ' A' ' 69' ' ' GLU . 10.4 m-20 -86.19 -7.7 58.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.583 HG22 ' CHB' ' A' ' 95' ' ' HEM . 0.7 OUTLIER -67.5 -32.27 56.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.451 ' NH1' ' HB3' ' A' ' 68' ' ' ARG . 9.8 ttp-105 -60.69 -39.23 87.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 110.326 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.521 ' HG2' HD23 ' A' ' 70' ' ' LEU . 3.2 pt-20 -54.4 -24.71 20.94 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.554 1.159 . . . . 0.0 110.337 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.521 HD23 ' HG2' ' A' ' 69' ' ' GLU . 3.2 mm? -85.06 -56.59 3.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.474 ' HB2' ' CD2' ' A' ' 30' ' ' TYR . 86.1 p -45.06 -28.77 0.75 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.137 . . . . 0.0 109.946 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.42 -34.01 0.48 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.7 m -102.56 -30.91 10.68 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.512 1.132 . . . . 0.0 110.447 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.569 ' CE2' ' CB ' ' A' ' 35' ' ' PHE . 7.2 m-85 -99.96 70.09 1.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.976 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.931 HD11 ' CE2' ' A' ' 30' ' ' TYR . 1.6 mm -138.02 151.65 25.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.92 HG12 HG13 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -122.9 -43.86 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.543 ' CA ' HG21 ' A' ' 4' ' ' VAL . . . 150.07 -115.81 0.74 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.479 1.112 . . . . 0.0 110.975 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -165.25 119.76 1.28 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 0.749 . . . . 0.0 110.293 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.847 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -48.58 162.37 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.583 ' N ' HD22 ' A' ' 79' ' ' LEU . 7.6 t-80 -41.84 143.01 1.01 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.62 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.65 ' HA ' ' CE1' ' A' ' 27' ' ' HIS . 18.2 Cg_endo -75.06 -29.82 7.73 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.438 1.757 . . . . 0.0 111.026 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.471 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 2.4 t0 -72.28 -39.11 68.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.432 ' CG ' ' HB ' ' A' ' 8' ' ' THR . 3.4 m-20 -77.17 -24.77 51.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.748 ' HB2' HD11 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -65.53 -33.88 76.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.324 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.421 ' N ' ' HD3' ' A' ' 84' ' ' ARG . 28.4 t -77.28 -9.79 59.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.423 1.077 . . . . 0.0 110.019 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -85.86 -27.11 25.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.428 1.08 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.874 HD11 HD21 ' A' ' 9' ' ' LEU . 11.5 mm -63.3 -12.02 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 109.296 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.963 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' HEM . . . . . 0.583 ' CHB' HG22 ' A' ' 67' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.595 HG11 ' HG2' ' A' ' 78' ' ' GLU . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.611 ' O ' ' CZ ' ' A' ' 7' ' ' TYR . 0.6 OUTLIER -94.76 136.14 35.42 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.562 1.164 . . . . 0.0 109.239 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -87.95 91.26 8.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.99 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.611 ' CZ ' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -100.22 129.79 46.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 111.015 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.563 HG22 ' HB2' ' A' ' 80' ' ' HIS . 61.9 p -76.88 155.4 32.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.444 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.589 HD23 ' CG1' ' A' ' 87' ' ' ILE . 0.0 OUTLIER -36.59 -35.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.221 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 8' ' ' THR . 3.2 tt0 -40.66 -28.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 110.281 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.424 ' N ' ' C ' ' A' ' 9' ' ' LEU . 17.3 mm-40 -98.93 -54.69 2.92 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 0.0 110.234 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.664 ' H ' HD12 ' A' ' 12' ' ' ILE . 4.4 mp -53.53 -37.91 32.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.41 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 11.4 pt20 -72.48 -31.42 65.38 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.113 . . . . 0.0 110.329 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.59 -4.96 40.2 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.397 1.061 . . . . 0.0 109.338 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.671 ' ND1' ' CZ2' ' A' ' 22' ' ' TRP . 15.8 m-70 -114.07 57.16 0.7 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.15 . . . . 0.0 109.594 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.01 55.94 0.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.346 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 20' ' ' SER . 0.2 OUTLIER -143.0 157.18 44.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 68.3 p -50.86 -42.85 59.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 110.03 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.92 -39.2 88.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 17' ' ' ASP . 0.6 OUTLIER -140.07 113.59 8.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.045 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.842 HG21 ' HB3' ' A' ' 47' ' ' ARG . 1.8 m -153.81 118.69 5.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 110.393 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.671 ' CZ2' ' ND1' ' A' ' 15' ' ' HIS . 0.4 OUTLIER -126.92 -179.99 5.11 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.031 -1.099 . . . . 0.0 108.031 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.647 ' HB ' ' HB3' ' A' ' 54' ' ' ALA . 16.1 m -153.76 114.23 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.688 HG22 ' HB ' ' A' ' 29' ' ' VAL . 1.3 pp -67.54 87.91 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.619 HD23 HG23 ' A' ' 23' ' ' VAL . 2.7 pp -114.96 130.81 57.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.529 ' O ' ' CD ' ' A' ' 28' ' ' LYS . 1.5 t60 70.11 31.92 3.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 0.0 109.594 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.471 ' CG ' ' O ' ' A' ' 27' ' ' HIS . 56.0 t60 67.59 7.58 5.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.602 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.529 ' CD ' ' O ' ' A' ' 26' ' ' HIS . 0.2 OUTLIER -134.76 121.28 20.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.346 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.969 HG13 HG12 ' A' ' 76' ' ' ILE . 1.7 p -78.72 151.9 5.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.348 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.917 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 7.6 m-85 -128.15 127.6 43.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.997 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.654 ' OD1' HG22 ' A' ' 33' ' ' THR . 6.1 t0 -87.79 77.15 8.64 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.644 HD23 ' O ' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -86.83 12.29 11.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.393 1.058 . . . . 0.0 109.305 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.654 HG22 ' OD1' ' A' ' 31' ' ' ASP . 1.2 t -61.41 -15.97 42.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 0.0 110.337 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.26 -52.73 4.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.58 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -87.54 10.26 18.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.587 1.179 . . . . 0.0 111.046 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -55.16 -41.45 71.85 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.48 1.113 . . . . 0.0 109.264 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.6 -24.89 45.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.348 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -83.46 -3.54 57.68 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.532 1.145 . . . . 0.0 110.335 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.606 ' CE1' ' HA3' ' A' ' 41' ' ' GLY . 32.3 t-80 -85.97 132.07 44.95 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.611 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.581 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.4 Cg_endo -74.99 -13.2 21.49 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.488 1.783 . . . . 0.0 111.033 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.606 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -59.53 -82.05 0.07 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.544 1.153 . . . . 0.0 111.033 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.451 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.15 -163.64 27.87 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.45 ' O ' ' CG ' ' A' ' 43' ' ' GLU . 8.0 tt0 -122.46 -10.69 8.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 110.275 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.402 ' O ' ' HB2' ' A' ' 48' ' ' GLU . 4.5 pm0 -121.24 -1.11 9.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 110.276 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.451 ' CG1' ' HA3' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -100.11 -25.23 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.554 HD21 ' HD1' ' A' ' 39' ' ' HIS . 1.4 mt -82.22 -33.45 29.3 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.842 ' HB3' HG21 ' A' ' 21' ' ' THR . 0.0 OUTLIER -92.49 -20.02 21.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 110.305 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.402 ' HB2' ' O ' ' A' ' 44' ' ' GLU . 1.8 tm-20 -48.88 -25.21 1.78 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.17 . . . . 0.0 110.306 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.612 ' O ' HG12 ' A' ' 23' ' ' VAL . 23.8 mm-40 -117.67 31.87 6.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.786 ' HB2' HG23 ' A' ' 21' ' ' THR . . . -88.43 60.87 5.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.26 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.13 -38.41 0.03 OUTLIER Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.44 1.087 . . . . 0.0 111.03 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -116.13 -132.07 4.94 Favored Glycine 0 CA--C 1.531 1.059 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.54 ' HB2' HG22 ' A' ' 55' ' ' THR . 4.6 p-10 -109.99 117.12 32.92 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 0.768 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.647 ' HB3' ' HB ' ' A' ' 23' ' ' VAL . . . -90.47 -9.92 45.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.54 HG22 ' HB2' ' A' ' 53' ' ' ASP . 0.1 OUTLIER -49.52 -30.0 7.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.365 1.041 . . . . 0.0 110.369 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.81 -46.12 63.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.3 m-20 -80.81 -30.66 35.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.583 1.177 . . . . 0.0 109.246 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.54 ' CD1' ' C ' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -71.64 -39.68 70.23 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.572 1.17 . . . . 0.0 110.971 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.438 ' CG ' ' O ' ' A' ' 55' ' ' THR . 2.1 pp20? -79.85 -17.02 54.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.285 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -59.9 -53.56 56.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.447 ' CG1' ' CE1' ' A' ' 63' ' ' HIS . 0.5 OUTLIER -66.84 -17.75 23.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.466 1.104 . . . . 0.0 109.376 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 65.86 78.78 0.22 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.475 1.11 . . . . 0.0 110.986 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.46 ' ND1' ' O ' ' A' ' 58' ' ' PHE . 75.2 m80 -72.49 140.06 48.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.431 0.724 . . . . 0.0 109.609 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.412 ' O ' ' HB ' ' A' ' 67' ' ' VAL . 1.6 t -63.34 169.11 3.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.565 1.166 . . . . 0.0 109.972 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.2 t -73.32 -10.91 60.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.163 . . . . 0.0 110.367 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.478 ' O ' HD23 ' A' ' 70' ' ' LEU . 2.9 m-20 -85.2 -3.77 58.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.15 . . . . 0.0 109.31 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.616 HG22 ' CHB' ' A' ' 95' ' ' HEM . 0.8 OUTLIER -80.8 -23.23 10.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 0.0 109.287 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 17.7 ttt-85 -72.68 -30.96 64.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.573 1.171 . . . . 0.0 110.268 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -93.11 7.89 42.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.478 HD23 ' O ' ' A' ' 66' ' ' ASP . 0.3 OUTLIER -80.77 -60.72 2.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 11.9 m -86.4 69.19 10.4 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.111 . . . . 0.0 109.983 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -76.86 -51.21 11.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.9 m -89.31 -37.27 15.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.42 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.488 ' O ' ' C ' ' A' ' 75' ' ' ILE . 22.5 m-30 -51.73 -46.21 63.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 111.026 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.917 HD11 ' CZ ' ' A' ' 30' ' ' TYR . 1.2 mm -33.86 140.14 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.969 HG12 HG13 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -103.67 -47.73 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.262 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.58 ' HA2' HG21 ' A' ' 4' ' ' VAL . . . 158.36 -112.69 0.54 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.503 1.127 . . . . 0.0 110.951 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.595 ' HG2' HG11 ' A' ' 4' ' ' VAL . 2.4 pt-20 -168.48 119.47 0.78 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.52 0.776 . . . . 0.0 110.315 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.862 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -56.23 163.81 1.51 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 109.294 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.59 ' CE1' ' HB2' ' A' ' 82' ' ' ASP . 3.3 t-80 -42.07 141.02 1.43 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.581 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.556 ' HD2' ' CD2' ' A' ' 80' ' ' HIS . 18.3 Cg_endo -74.97 -28.41 9.25 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.477 1.778 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.59 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 0.5 OUTLIER -76.12 -31.75 58.8 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.407 ' OD2' HD11 ' A' ' 9' ' ' LEU . 2.7 m-20 -86.33 -19.74 29.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.82 ' HB2' HD11 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -70.1 -30.35 67.53 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.534 1.146 . . . . 0.0 110.276 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.408 ' N ' ' HD3' ' A' ' 84' ' ' ARG . 1.0 OUTLIER -87.99 -11.15 48.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.368 1.042 . . . . 0.0 109.98 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.6 mtpt -94.33 -16.33 23.61 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.589 ' CG1' HD23 ' A' ' 9' ' ' LEU . 13.2 mt -68.98 -6.38 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 109.338 179.996 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' HEM . . . . . 0.616 ' CHB' HG22 ' A' ' 67' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.579 HG21 ' CA ' ' A' ' 77' ' ' GLY . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.48 ' O ' ' CE2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -88.69 139.03 30.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -91.89 90.88 7.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.577 1.173 . . . . 0.0 110.974 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.505 ' O ' ' HA ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -98.03 129.97 44.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 1.101 . . . . 0.0 111.022 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.726 HG22 ' HB2' ' A' ' 80' ' ' HIS . 13.2 p -81.2 158.37 24.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.429 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.883 HD21 HD11 ' A' ' 87' ' ' ILE . 0.8 OUTLIER -35.51 -40.59 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 9' ' ' LEU . 4.8 tp10 -34.69 -32.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.274 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.511 ' N ' ' O ' ' A' ' 9' ' ' LEU . 17.6 mm-40 -96.65 -51.95 4.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.495 ' CD1' ' HB3' ' A' ' 79' ' ' LEU . 0.5 OUTLIER -50.66 -38.67 17.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.167 . . . . 0.0 109.345 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.545 ' CG ' ' O ' ' A' ' 9' ' ' LEU . 0.8 OUTLIER -77.18 -25.34 51.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.093 . . . . 0.0 110.348 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -75.19 -13.12 60.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.594 ' ND1' ' CZ2' ' A' ' 22' ' ' TRP . 9.9 m-70 -116.93 55.27 0.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.419 1.075 . . . . 0.0 109.589 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.7 tttm -108.97 64.43 0.61 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -157.25 152.97 26.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.423 1.077 . . . . 0.0 109.291 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 19' ' ' LYS . 8.0 t -39.58 -58.94 1.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.975 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -39.8 -54.28 2.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.31 109.85 7.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.431 1.082 . . . . 0.0 110.021 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.815 HG21 ' HB3' ' A' ' 47' ' ' ARG . 1.6 m -140.94 122.55 15.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.413 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.694 ' O ' HG13 ' A' ' 23' ' ' VAL . 1.4 m0 -120.56 -173.72 2.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 107.997 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.893 HG22 HD21 ' A' ' 32' ' ' LEU . 5.6 m -159.98 111.72 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 109.342 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.755 HD13 ' C ' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -71.61 99.67 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 109.38 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.682 HD11 ' CE1' ' A' ' 30' ' ' TYR . 4.3 pp -118.2 133.59 55.77 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.564 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 0.2 OUTLIER 54.49 35.05 22.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.592 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.564 ' CG ' ' O ' ' A' ' 27' ' ' HIS . 3.6 t60 70.67 8.29 6.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.575 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.564 ' HG2' ' O ' ' A' ' 26' ' ' HIS . 0.0 OUTLIER -124.04 117.15 24.06 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.507 1.129 . . . . 0.0 109.249 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.938 HG13 HG12 ' A' ' 76' ' ' ILE . 5.4 p -88.41 141.92 13.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.586 1.179 . . . . 0.0 109.245 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.682 ' CE1' HD11 ' A' ' 25' ' ' LEU . 28.4 m-85 -124.53 132.87 53.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.093 . . . . 0.0 111.037 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.5 ' CB ' HG22 ' A' ' 76' ' ' ILE . 15.3 t70 -90.67 79.82 6.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.893 HD21 HG22 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -86.8 14.91 6.37 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.535 ' HA ' HD12 ' A' ' 36' ' ' LEU . 0.5 OUTLIER -63.81 -17.86 63.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 110.415 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -90.08 -54.96 3.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.354 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.642 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -85.01 12.03 8.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 111.031 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.535 HD12 ' HA ' ' A' ' 33' ' ' THR . 0.2 OUTLIER -56.46 -40.22 74.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.38 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.65 -19.2 45.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -87.6 -2.35 58.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.339 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.593 ' CE1' ' HA3' ' A' ' 41' ' ' GLY . 28.5 t-80 -91.29 131.27 37.07 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.574 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.587 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.1 Cg_endo -74.97 -9.84 21.0 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.593 1.839 . . . . 0.0 111.019 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.593 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -61.43 -81.32 0.09 OUTLIER Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.485 1.116 . . . . 0.0 111.055 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.458 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.25 -165.28 30.56 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.455 ' O ' ' CG ' ' A' ' 43' ' ' GLU . 14.0 tt0 -122.71 -10.39 8.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 0.747 . . . . 0.0 110.248 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.564 ' CG ' ' O ' ' A' ' 44' ' ' GLU . 5.0 tt0 -120.68 -2.0 9.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.458 ' CG1' ' HA3' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -99.82 -27.51 3.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.383 1.052 . . . . 0.0 109.333 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.513 HD21 ' HD1' ' A' ' 39' ' ' HIS . 1.2 mt -79.57 -33.71 41.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.133 . . . . 0.0 109.318 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.815 ' HB3' HG21 ' A' ' 21' ' ' THR . 10.0 ptm180 -90.26 -21.54 22.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.258 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -52.37 -29.31 23.3 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -105.41 15.9 26.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 0.0 110.258 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.809 ' HB2' HG23 ' A' ' 21' ' ' THR . . . -80.37 54.99 2.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.08 -35.42 0.03 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.473 1.108 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.476 ' O ' ' CG2' ' A' ' 24' ' ' ILE . . . -118.77 -127.43 3.68 Favored Glycine 0 CA--C 1.529 0.969 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 26.3 p-10 -109.64 123.83 50.13 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 0.747 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.468 ' CB ' ' HB ' ' A' ' 23' ' ' VAL . . . -93.23 -21.4 19.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.158 . . . . 0.0 109.286 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.589 ' HA ' ' HB3' ' A' ' 58' ' ' PHE . 0.2 OUTLIER -49.53 -47.41 48.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 110.403 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -47.37 -32.17 4.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.527 ' O ' HG12 ' A' ' 61' ' ' VAL . 6.3 m-20 -100.09 -45.51 5.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.589 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 1.0 OUTLIER -58.57 -39.96 81.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.574 1.171 . . . . 0.0 111.025 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.498 ' HB2' ' O ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -80.72 -19.38 45.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 110.277 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.487 ' HB3' ' O ' ' A' ' 57' ' ' ASN . 0.2 OUTLIER -67.02 -55.57 13.83 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.527 HG12 ' O ' ' A' ' 57' ' ' ASN . 0.6 OUTLIER -59.82 -18.33 15.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 68.14 78.63 0.29 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.522 1.139 . . . . 0.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.489 ' ND1' ' O ' ' A' ' 58' ' ' PHE . 56.5 m80 -75.5 140.13 42.62 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 0.752 . . . . 0.0 109.612 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 41.0 t -54.54 157.85 2.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.402 1.064 . . . . 0.0 109.947 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.7 m -78.37 -25.7 46.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 110.413 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -85.19 7.8 20.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -77.43 -25.97 15.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.283 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -59.94 -23.38 63.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 110.348 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -71.65 -21.59 61.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.57 1.169 . . . . 0.0 110.237 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.94 -62.61 1.49 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.217 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 62.3 p -74.85 86.19 2.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.596 1.185 . . . . 0.0 109.987 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.511 ' O ' ' CG1' ' A' ' 75' ' ' ILE . 0.1 OUTLIER -127.71 -43.3 1.56 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.334 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 5.1 m -90.73 -19.81 23.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.354 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.405 ' O ' ' C ' ' A' ' 75' ' ' ILE . 14.5 m-85 -85.81 -36.63 19.94 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 111.009 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.597 HG22 ' CD2' ' A' ' 30' ' ' TYR . 0.7 OUTLIER -39.15 141.26 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.91 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.938 HG12 HG13 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -103.23 -42.02 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.579 ' CA ' HG21 ' A' ' 4' ' ' VAL . . . 151.62 -116.14 0.74 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -160.74 120.02 2.65 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 0.777 . . . . 0.0 110.311 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.908 HD11 ' HB3' ' A' ' 84' ' ' ARG . 0.0 OUTLIER -54.31 159.3 2.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.263 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.726 ' HB2' HG22 ' A' ' 8' ' ' THR . 2.6 t-80 -35.67 139.11 0.39 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.561 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.549 ' O ' ' HG3' ' A' ' 84' ' ' ARG . 18.3 Cg_endo -75.07 -24.36 12.78 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.526 1.803 . . . . 0.0 110.994 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.7 -17.23 51.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.5 ' HB2' ' CD2' ' A' ' 79' ' ' LEU . 0.5 OUTLIER -89.7 -43.4 10.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.908 ' HB3' HD11 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -59.62 -23.13 62.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 110.334 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.88 -8.98 29.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 109.955 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -82.03 -32.45 30.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.435 1.084 . . . . 0.0 109.351 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.883 HD11 HD21 ' A' ' 9' ' ' LEU . 28.5 mt -69.35 -6.53 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.127 . . . . 0.0 109.243 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.14 . . . . 0.0 109.337 179.971 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' HEM . . . . . 0.82 ' CBB' HD22 ' A' ' 32' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.546 HG21 ' CA ' ' A' ' 77' ' ' GLY . 1.1 t . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.675 ' O ' ' CE2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -99.42 141.42 32.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -79.95 101.69 8.77 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.507 1.129 . . . . 0.0 111.011 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.675 ' CE2' ' O ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -103.8 129.84 51.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 111.006 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.812 HG22 ' CB ' ' A' ' 80' ' ' HIS . 44.3 p -81.76 160.89 23.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.395 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 1.027 HD21 HD11 ' A' ' 87' ' ' ILE . 1.0 OUTLIER -34.75 -39.82 0.1 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 109.331 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 9' ' ' LEU . 67.7 tt0 -35.84 -31.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.24 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' A' ' 9' ' ' LEU . 20.0 mm-40 -102.54 -46.67 4.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.323 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.743 HD11 HG11 ' A' ' 29' ' ' VAL . 0.4 OUTLIER -54.88 -36.51 37.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.282 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.529 ' CG ' ' O ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -82.14 -24.74 34.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.596 1.185 . . . . 0.0 110.242 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.88 -30.55 65.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.658 ' ND1' ' CZ2' ' A' ' 22' ' ' TRP . 13.3 m-70 -93.93 58.79 2.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.598 1.186 . . . . 0.0 109.649 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.3 tmtt? -110.2 60.77 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 20' ' ' SER . 3.0 m-20 -155.42 151.0 27.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.255 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.6 t -39.61 -51.11 2.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.024 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.443 ' O ' HG21 ' A' ' 33' ' ' THR . 0.0 OUTLIER -48.8 -46.81 42.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.435 1.084 . . . . 0.0 109.316 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 17' ' ' ASP . 0.3 OUTLIER -140.13 113.15 8.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.133 . . . . 0.0 109.989 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.719 HG23 ' HB2' ' A' ' 50' ' ' ALA . 7.6 m -145.68 116.83 7.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 110.423 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.667 ' O ' HG13 ' A' ' 23' ' ' VAL . 1.1 m0 -121.9 -177.82 3.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 108.009 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.667 HG13 ' O ' ' A' ' 22' ' ' TRP . 10.6 m -159.25 109.85 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.427 1.079 . . . . 0.0 109.361 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.777 HG22 ' O ' ' A' ' 52' ' ' GLY . 0.1 OUTLIER -63.94 109.07 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.475 ' O ' HD12 ' A' ' 25' ' ' LEU . 4.3 pp -132.67 129.54 38.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 31.4 m80 61.92 34.5 16.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 109.591 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.627 ' HA ' HD11 ' A' ' 24' ' ' ILE . 6.4 m80 70.11 2.27 3.87 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.544 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.41 ' O ' ' O ' ' A' ' 25' ' ' LEU . 0.3 OUTLIER -123.21 117.98 26.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.23 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.952 HG13 HG12 ' A' ' 76' ' ' ILE . 5.5 p -84.99 141.96 13.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 109.317 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 1.125 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 5.1 m-85 -123.18 134.42 54.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 0.0 110.985 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.548 ' HB2' HG22 ' A' ' 76' ' ' ILE . 22.3 t70 -85.42 86.34 7.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.494 HD21 ' CB ' ' A' ' 30' ' ' TYR . 1.3 mt -82.85 12.29 5.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.516 ' HA ' HD12 ' A' ' 36' ' ' LEU . 0.4 OUTLIER -69.78 -18.66 63.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 110.405 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -90.19 -52.48 4.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.25 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.691 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -89.98 15.75 9.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.968 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.516 HD12 ' HA ' ' A' ' 33' ' ' THR . 0.2 OUTLIER -57.42 -50.36 73.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.348 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.46 -22.75 61.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.446 1.091 . . . . 0.0 110.328 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -82.19 -1.64 49.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.12 . . . . 0.0 110.248 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.597 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 28.6 t-80 -94.08 131.48 31.52 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.626 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.597 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.3 Cg_endo -74.97 -8.82 20.45 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.502 1.791 . . . . 0.0 111.004 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.567 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -62.65 -80.76 0.11 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.559 1.162 . . . . 0.0 110.957 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.482 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.21 -164.01 28.51 Favored Glycine 0 CA--C 1.531 1.051 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 12.4 tt0 -123.34 -12.57 7.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 0.783 . . . . 0.0 110.304 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -118.77 -7.72 10.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 110.272 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.482 ' CG1' ' HA3' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -93.61 -27.54 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.1 . . . . 0.0 109.275 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.527 HD21 ' HD1' ' A' ' 39' ' ' HIS . 2.0 mt -77.31 -36.45 54.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.529 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -87.73 -19.68 27.26 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.45 ' O ' ' NE2' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -53.03 -21.97 5.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.313 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.45 ' NE2' ' O ' ' A' ' 48' ' ' GLU . 64.8 mm-40 -124.82 30.21 5.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.31 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.719 ' HB2' HG23 ' A' ' 21' ' ' THR . . . -87.2 57.72 4.62 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.501 1.126 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -169.99 -36.17 0.03 OUTLIER Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.545 1.153 . . . . 0.0 111.016 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.777 ' O ' HG22 ' A' ' 24' ' ' ILE . . . -106.7 -136.17 8.19 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.43 ' O ' ' CG ' ' A' ' 56' ' ' GLU . 25.3 p-10 -109.81 117.23 33.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 0.786 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.576 ' HB3' ' HB ' ' A' ' 23' ' ' VAL . . . -91.42 -19.62 22.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.118 . . . . 0.0 109.263 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.444 ' HA ' ' HB3' ' A' ' 58' ' ' PHE . 0.6 OUTLIER -49.78 -29.39 7.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.421 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.43 ' CG ' ' O ' ' A' ' 53' ' ' ASP . 0.1 OUTLIER -68.84 -46.34 68.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 110.333 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.452 ' CB ' HBC1 ' A' ' 95' ' ' HEM . 2.8 m120 -80.92 -33.4 34.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.303 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.578 ' CD1' ' C ' ' A' ' 58' ' ' PHE . 0.7 OUTLIER -66.61 -39.78 88.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.11 . . . . 0.0 111.008 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.407 ' C ' ' CD ' ' A' ' 59' ' ' GLU . 2.3 pp20? -78.26 -21.61 49.58 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.255 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -62.64 -56.43 17.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.42 ' H ' HG12 ' A' ' 61' ' ' VAL . 1.1 p -60.17 -21.45 22.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 71.71 77.29 0.54 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.542 1.151 . . . . 0.0 110.959 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.463 ' ND1' ' O ' ' A' ' 58' ' ' PHE . 48.0 m80 -70.31 140.16 52.22 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.493 0.761 . . . . 0.0 109.58 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.422 ' O ' ' HB ' ' A' ' 67' ' ' VAL . 4.5 t -63.46 168.0 4.99 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.471 1.107 . . . . 0.0 110.057 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 11.2 t -73.95 -10.21 59.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.4 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -86.77 -3.6 59.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.646 HG22 ' CHB' ' A' ' 95' ' ' HEM . 1.2 t -82.6 -37.07 13.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.339 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.7 ttt180 -63.53 -29.43 70.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 110.248 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -90.49 -28.46 18.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 110.257 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.48 -59.88 3.35 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.2 m -75.62 123.65 25.88 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.998 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.89 -64.41 0.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.3 m -77.42 -29.51 53.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.456 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.419 ' O ' ' C ' ' A' ' 75' ' ' ILE . 21.0 m-85 -62.13 -38.24 88.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 1.125 HD11 ' CZ ' ' A' ' 30' ' ' TYR . 0.6 OUTLIER -38.96 140.06 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.536 1.147 . . . . 0.0 109.267 179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.952 HG12 HG13 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -99.68 -48.48 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.426 1.079 . . . . 0.0 109.306 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.546 ' CA ' HG21 ' A' ' 4' ' ' VAL . . . 162.25 -111.37 0.47 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.411 1.07 . . . . 0.0 110.975 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -164.36 119.69 1.5 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 0.736 . . . . 0.0 110.358 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.964 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -61.77 155.27 23.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.168 . . . . 0.0 109.327 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.812 ' CB ' HG22 ' A' ' 8' ' ' THR . 1.8 t-80 -32.32 134.59 0.27 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.562 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -18.5 18.67 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.515 1.798 . . . . 0.0 110.969 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -80.02 -36.77 35.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.67 -28.94 40.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.789 ' HB2' HD11 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -63.06 -35.54 80.58 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.572 1.17 . . . . 0.0 110.366 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.2 t -85.91 -12.04 51.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.006 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? -81.89 -34.78 29.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 1.027 HD11 HD21 ' A' ' 9' ' ' LEU . 14.5 mt -68.89 -11.07 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 87' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 109.372 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' HEM . . . . . 0.646 ' CHB' HG22 ' A' ' 67' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.822 HG21 ' HA3' ' A' ' 77' ' ' GLY . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.64 ' O ' ' CE2' ' A' ' 7' ' ' TYR . 1.0 OUTLIER -93.52 124.7 37.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -80.22 87.61 5.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.64 ' CE2' ' O ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -97.56 129.78 44.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 111.021 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.58 HG22 ' HB2' ' A' ' 80' ' ' HIS . 66.5 p -77.72 164.3 25.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.44 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.7 mp -42.93 -31.02 0.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.411 ' C ' ' OE1' ' A' ' 11' ' ' GLU . 0.8 OUTLIER -48.39 -23.41 0.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 110.325 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.411 ' OE1' ' C ' ' A' ' 10' ' ' GLU . 3.1 mm-40 -100.48 -54.33 2.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.144 . . . . 0.0 110.353 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.592 ' H ' HD12 ' A' ' 12' ' ' ILE . 4.7 mp -55.06 -33.64 29.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.251 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -56.24 -38.8 71.58 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.522 1.139 . . . . 0.0 110.294 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.72 -8.43 54.15 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.509 1.13 . . . . 0.0 109.301 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.801 ' CD2' ' CH2' ' A' ' 22' ' ' TRP . 93.6 m-70 -108.84 46.11 0.99 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 1.168 . . . . 0.0 109.558 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.9 ttmt -110.19 56.69 0.62 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.107 . . . . 0.0 109.256 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 18' ' ' SER . 2.2 t70 -157.31 152.21 25.72 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 17' ' ' ASP . 85.0 p -37.49 -56.32 1.02 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.41 1.069 . . . . 0.0 110.028 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.2 -51.25 6.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.363 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.42 ' O ' ' O ' ' A' ' 15' ' ' HIS . 0.1 OUTLIER -135.61 110.6 8.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.982 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.698 HG23 ' HB2' ' A' ' 50' ' ' ALA . 18.7 m -140.99 117.23 10.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.461 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.801 ' CH2' ' CD2' ' A' ' 15' ' ' HIS . 2.6 m0 -121.76 -175.67 3.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 108.061 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 1.045 HG22 HD21 ' A' ' 32' ' ' LEU . 15.4 m -159.28 108.76 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.411 1.069 . . . . 0.0 109.327 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.807 HG22 ' HB ' ' A' ' 29' ' ' VAL . 1.1 pp -67.99 102.08 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.534 HD23 HG23 ' A' ' 23' ' ' VAL . 3.8 pp -121.09 122.55 40.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.227 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.461 ' O ' ' CD ' ' A' ' 28' ' ' LYS . 2.2 m80 62.6 35.86 14.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.596 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.55 ' CG ' ' O ' ' A' ' 27' ' ' HIS . 1.1 t60 70.24 3.54 4.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.555 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.461 ' CD ' ' O ' ' A' ' 26' ' ' HIS . 0.1 OUTLIER -117.81 109.18 16.25 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 109.333 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.995 HG13 HG12 ' A' ' 76' ' ' ILE . 2.9 p -84.75 138.94 18.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.475 1.109 . . . . 0.0 109.337 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.941 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 4.0 m-85 -119.87 134.26 55.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.968 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.521 ' HA ' ' CD1' ' A' ' 22' ' ' TRP . 14.1 t70 -89.77 77.07 7.12 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.453 1.096 . . . . 0.0 109.221 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 1.045 HD21 HG22 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -82.45 15.83 2.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.457 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 0.5 OUTLIER -64.72 -20.75 66.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.437 1.085 . . . . 0.0 110.425 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -90.19 -52.96 4.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.658 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -85.64 12.01 9.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 1.165 . . . . 0.0 110.94 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.461 ' HB2' ' O ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -56.27 -42.85 78.09 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.405 1.066 . . . . 0.0 109.274 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -79.27 -22.7 44.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 0.0 110.329 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -82.09 -4.39 56.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.286 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.62 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 27.9 t-80 -89.19 131.74 39.85 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 109.603 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.62 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.4 Cg_endo -74.97 -8.17 19.86 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.514 1.797 . . . . 0.0 110.975 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.574 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -63.57 -80.68 0.12 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.473 1.108 . . . . 0.0 110.95 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.486 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.08 -167.75 34.06 Favored Glycine 0 CA--C 1.528 0.899 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.419 ' O ' ' CG ' ' A' ' 43' ' ' GLU . 8.3 tt0 -122.43 -12.18 8.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 0.743 . . . . 0.0 110.371 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.558 ' CG ' ' O ' ' A' ' 44' ' ' GLU . 6.2 tt0 -118.46 -2.6 11.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.342 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.486 ' CG1' ' HA3' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -99.94 -30.94 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.374 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.515 HD21 ' HD1' ' A' ' 39' ' ' HIS . 2.2 mt -73.83 -36.38 64.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.157 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.678 ' HB3' HG21 ' A' ' 21' ' ' THR . 8.1 ptm180 -86.81 -26.67 23.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 110.329 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.432 ' HB2' ' O ' ' A' ' 44' ' ' GLU . 0.5 OUTLIER -51.08 -21.13 1.71 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 110.341 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.499 ' HB2' ' HB2' ' A' ' 54' ' ' ALA . 8.1 mt-30 -120.89 27.68 8.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.413 1.07 . . . . 0.0 110.263 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.698 ' HB2' HG23 ' A' ' 21' ' ' THR . . . -90.58 60.46 4.58 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.251 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.09 -37.11 0.03 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.483 1.115 . . . . 0.0 110.953 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.421 ' O ' HG13 ' A' ' 24' ' ' ILE . . . -112.26 -135.94 6.65 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.9 p-10 -109.82 120.52 42.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.418 0.717 . . . . 0.0 109.272 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.499 ' HB2' ' HB2' ' A' ' 49' ' ' GLN . . . -98.68 -14.24 19.91 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.454 1.097 . . . . 0.0 109.285 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.467 ' O ' ' CG ' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -49.61 -28.42 5.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.428 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -71.04 -41.94 70.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.147 . . . . 0.0 110.328 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.442 ' HB2' ' OE1' ' A' ' 49' ' ' GLN . 2.5 m120 -84.5 -35.11 23.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.524 ' CD1' ' C ' ' A' ' 58' ' ' PHE . 1.6 t80 -66.16 -39.6 89.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.084 . . . . 0.0 110.968 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.467 ' CG ' ' O ' ' A' ' 55' ' ' THR . 2.1 pp20? -78.91 -22.08 46.41 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.517 1.136 . . . . 0.0 110.294 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.404 ' HB3' ' O ' ' A' ' 57' ' ' ASN . 0.4 OUTLIER -61.36 -56.48 19.9 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.456 1.097 . . . . 0.0 109.272 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.444 HG21 ' C2D' ' A' ' 95' ' ' HEM . 1.0 OUTLIER -59.85 -16.6 11.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.338 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 65.0 80.74 0.14 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.509 1.13 . . . . 0.0 111.029 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.523 ' HB3' HG21 ' A' ' 67' ' ' VAL . 54.0 m80 -69.93 139.89 52.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.421 0.718 . . . . 0.0 109.639 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.55 167.8 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.09 . . . . 0.0 109.987 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 22.1 p -76.08 -16.7 59.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 110.408 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -89.47 8.23 32.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.523 HG21 ' HB3' ' A' ' 63' ' ' HIS . 0.3 OUTLIER -78.53 -30.15 15.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.448 ' HG3' ' N ' ' A' ' 69' ' ' GLU . 4.3 ptt180 -65.36 -27.57 68.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.255 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.448 ' N ' ' HG3' ' A' ' 68' ' ' ARG . 13.9 pt-20 -100.18 17.49 21.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.307 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.79 -64.72 1.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 74.6 m -89.86 96.35 10.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.034 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.88 -63.26 1.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.5 m -71.64 -38.21 70.77 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.522 1.139 . . . . 0.0 110.423 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.443 ' O ' ' C ' ' A' ' 75' ' ' ILE . 18.2 m-85 -54.55 -41.2 69.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.574 1.171 . . . . 0.0 111.028 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.941 HD11 ' CZ ' ' A' ' 30' ' ' TYR . 1.1 mm -35.88 142.49 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.995 HG12 HG13 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -106.78 -43.96 7.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.096 . . . . 0.0 109.271 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.822 ' HA3' HG21 ' A' ' 4' ' ' VAL . . . 155.87 -110.89 0.46 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.454 1.096 . . . . 0.0 111.016 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.434 ' HB2' ' CE1' ' A' ' 27' ' ' HIS . 4.1 pt-20 -170.04 119.74 0.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 0.78 . . . . 0.0 110.356 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.995 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -60.64 152.83 25.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.275 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.627 ' N ' HD22 ' A' ' 79' ' ' LEU . 2.0 t-80 -31.08 137.39 0.2 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 109.654 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 80' ' ' HIS . 18.0 Cg_endo -75.09 -19.16 17.94 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.527 1.804 . . . . 0.0 110.973 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -79.99 -45.42 18.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.42 ' O ' ' HB2' ' A' ' 86' ' ' LYS . 0.4 OUTLIER -66.65 -32.79 74.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.286 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.85 ' HB2' HD11 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -64.81 -39.57 93.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.327 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 47.6 t -87.27 -4.72 59.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 110.0 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.42 ' HB2' ' O ' ' A' ' 83' ' ' ASP . 1.3 mttt -71.23 -41.88 69.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.414 ' O ' ' CG2' ' A' ' 87' ' ' ILE . 21.6 mt -84.9 -7.26 10.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.423 1.077 . . . . 0.0 109.334 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.337 179.955 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' HEM . . . . . 0.913 ' CBB' HD22 ' A' ' 32' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.589 HG21 ' CA ' ' A' ' 77' ' ' GLY . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.552 ' O ' ' CE2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -86.43 135.9 33.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.328 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -89.74 93.27 9.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 111.058 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.552 ' CE2' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -98.88 129.84 45.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.572 1.17 . . . . 0.0 110.993 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.826 HG22 ' HB2' ' A' ' 80' ' ' HIS . 19.9 p -84.19 158.26 21.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 110.404 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.57 HD11 HD11 ' A' ' 87' ' ' ILE . 1.5 mp -35.21 -35.87 0.05 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.555 1.16 . . . . 0.0 109.286 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.471 ' O ' ' HB2' ' A' ' 14' ' ' LYS . 3.4 tt0 -36.43 -29.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 110.334 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.533 ' N ' ' O ' ' A' ' 9' ' ' LEU . 3.8 mm-40 -101.43 -54.43 2.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 0.0 110.26 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.547 HD11 ' HB2' ' A' ' 79' ' ' LEU . 3.1 mp -48.14 -40.0 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.243 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.569 ' CG ' ' O ' ' A' ' 9' ' ' LEU . 1.4 pt20 -76.09 -27.73 57.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.362 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.471 ' HB2' ' O ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -75.26 -13.96 60.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.647 ' ND1' ' CZ2' ' A' ' 22' ' ' TRP . 12.7 m-70 -111.7 59.74 0.62 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.621 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -110.11 48.83 0.88 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' A' ' 18' ' ' SER . 6.7 t0 -142.33 145.32 33.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 17' ' ' ASP . 56.2 p -37.33 -49.4 0.97 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.046 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.44 -55.16 4.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.239 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.25 111.26 7.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.974 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.815 HG21 ' HB3' ' A' ' 47' ' ' ARG . 1.9 m -139.16 127.76 23.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.09 . . . . 0.0 110.438 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.647 ' CZ2' ' ND1' ' A' ' 15' ' ' HIS . 1.2 m0 -125.44 -177.62 3.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 108.021 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 1.075 HG22 HD21 ' A' ' 32' ' ' LEU . 27.9 m -158.51 110.66 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.435 HG22 ' HB ' ' A' ' 29' ' ' VAL . 0.9 OUTLIER -67.84 120.4 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.282 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 28' ' ' LYS . 3.2 pp -141.21 150.27 42.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 7.8 t60 44.27 28.49 0.29 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.605 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.411 ' C ' ' HG2' ' A' ' 28' ' ' LYS . 8.6 m-70 69.79 42.4 1.07 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 0.0 109.538 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 25' ' ' LEU . 2.5 ptpt -160.65 120.49 2.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 109.323 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.867 HG13 HG12 ' A' ' 76' ' ' ILE . 6.0 p -82.89 138.52 19.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 0.0 109.267 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 1.09 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 5.6 m-85 -119.2 136.76 54.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 111.03 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.558 ' HB2' HG22 ' A' ' 76' ' ' ILE . 18.9 t0 -90.47 77.32 6.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 1.075 HD21 HG22 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -88.09 21.35 2.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.319 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.553 HG22 ' OD1' ' A' ' 31' ' ' ASP . 1.0 OUTLIER -71.34 -23.68 61.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.425 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.407 ' CE ' ' HA ' ' A' ' 34' ' ' LYS . 0.0 OUTLIER -86.32 -50.53 6.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.65 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -86.26 11.68 11.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.437 1.085 . . . . 0.0 111.048 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.449 ' CD1' ' HA ' ' A' ' 33' ' ' THR . 0.2 OUTLIER -59.5 -44.97 92.97 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.555 1.16 . . . . 0.0 109.334 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.52 -24.07 50.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.402 1.064 . . . . 0.0 110.276 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -81.2 -8.23 59.72 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.543 1.152 . . . . 0.0 110.283 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.599 ' CE1' ' HA3' ' A' ' 41' ' ' GLY . 34.6 t-80 -85.38 132.78 43.93 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.586 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.582 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.4 Cg_endo -74.99 -14.2 21.22 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.469 1.773 . . . . 0.0 110.988 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.599 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -57.94 -79.65 0.1 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.606 1.191 . . . . 0.0 111.021 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.469 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.21 -166.27 32.04 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.436 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 10.6 tt0 -120.06 -14.26 8.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 0.755 . . . . 0.0 110.263 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.534 ' HA ' ' CG ' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -113.88 -27.87 7.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 110.299 -179.93 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.495 ' HA ' ' HB2' ' A' ' 48' ' ' GLU . 0.2 OUTLIER -69.39 -42.53 81.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.552 1.157 . . . . 0.0 109.349 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.525 HD21 ' HD1' ' A' ' 39' ' ' HIS . 1.3 mt -61.86 -49.73 75.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.353 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.815 ' HB3' HG21 ' A' ' 21' ' ' THR . 0.8 OUTLIER -74.75 -24.73 58.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.405 1.066 . . . . 0.0 110.277 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.495 ' HB2' ' HA ' ' A' ' 45' ' ' VAL . 0.7 OUTLIER -43.66 -28.31 0.39 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.39 1.056 . . . . 0.0 110.285 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.675 ' CB ' ' HB2' ' A' ' 54' ' ' ALA . 94.1 mm-40 -118.5 40.23 3.27 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.513 1.133 . . . . 0.0 110.25 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.757 ' HB2' HG23 ' A' ' 21' ' ' THR . . . -97.81 57.87 1.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.555 1.159 . . . . 0.0 109.307 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.13 -36.17 0.03 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -117.14 -128.85 4.15 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 41.0 p-10 -109.91 122.77 48.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 0.75 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.675 ' HB2' ' CB ' ' A' ' 49' ' ' GLN . . . -103.27 -12.97 16.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.237 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.477 ' O ' ' CG ' ' A' ' 59' ' ' GLU . 0.9 OUTLIER -49.56 -29.9 7.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 110.352 -179.938 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.0 -43.93 66.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.3 m-20 -81.56 -31.33 32.72 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.423 1.077 . . . . 0.0 109.303 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.675 ' CE1' ' C4B' ' A' ' 95' ' ' HEM . 11.9 t80 -71.85 -39.67 69.55 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.109 . . . . 0.0 110.987 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.477 ' CG ' ' O ' ' A' ' 55' ' ' THR . 2.2 pp20? -82.6 -15.1 53.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 110.289 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -57.95 -52.45 65.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.155 . . . . 0.0 109.259 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.451 HG12 ' H ' ' A' ' 61' ' ' VAL . 0.5 OUTLIER -66.76 -16.99 21.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.333 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.28 80.52 0.19 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.622 ' CE1' ' CD1' ' A' ' 58' ' ' PHE . 67.3 m80 -76.41 139.42 40.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 0.773 . . . . 0.0 109.578 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.418 ' O ' ' HB ' ' A' ' 67' ' ' VAL . 3.4 t -68.33 157.86 34.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.002 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 69.9 p -55.8 -17.24 5.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.412 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -73.32 -17.43 61.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.619 HG21 ' CD2' ' A' ' 63' ' ' HIS . 0.4 OUTLIER -69.96 -29.8 41.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.415 1.072 . . . . 0.0 109.357 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.1 tpp180 -64.04 -37.69 88.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.294 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -95.88 27.56 3.5 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 0.0 110.324 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.61 -57.6 2.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 109.351 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.4 p -94.54 70.88 3.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 110.021 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -81.24 -56.75 3.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.9 m -72.63 -45.39 59.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.39 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.478 ' O ' ' C ' ' A' ' 75' ' ' ILE . 20.1 m-85 -50.58 -43.76 56.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.105 . . . . 0.0 110.949 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 1.09 HD11 ' CZ ' ' A' ' 30' ' ' TYR . 0.7 OUTLIER -33.87 139.87 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.867 HG12 HG13 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -105.43 -49.39 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.589 ' CA ' HG21 ' A' ' 4' ' ' VAL . . . 163.0 -112.8 0.53 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.538 1.149 . . . . 0.0 110.945 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -164.31 119.37 1.48 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 0.747 . . . . 0.0 110.298 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.904 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -52.07 157.73 1.25 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.826 ' HB2' HG22 ' A' ' 8' ' ' THR . 5.1 t-80 -33.98 141.66 0.23 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.632 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.447 ' HD2' ' CG ' ' A' ' 80' ' ' HIS . 18.4 Cg_endo -75.02 -30.39 7.19 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.493 1.786 . . . . 0.0 110.991 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.419 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 2.0 t0 -70.47 -47.08 62.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.543 1.152 . . . . 0.0 109.237 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.417 ' CG ' ' HB ' ' A' ' 8' ' ' THR . 1.0 OUTLIER -65.2 -34.0 77.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.718 ' HB2' HD11 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -60.02 -37.74 80.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.265 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.416 ' N ' ' HD3' ' A' ' 84' ' ' ARG . 41.0 t -77.48 -12.68 59.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.984 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.1 mtpt -93.53 -13.96 27.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.57 HD11 HD11 ' A' ' 9' ' ' LEU . 33.4 mt -71.23 -4.54 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.348 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.961 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' HEM . . . . . 0.751 ' CBB' HD22 ' A' ' 32' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.743 HG21 ' HA3' ' A' ' 77' ' ' GLY . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.628 ' O ' ' CE2' ' A' ' 7' ' ' TYR . 1.3 ttpt -86.31 120.37 27.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.145 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -74.11 58.3 0.69 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.435 1.084 . . . . 0.0 110.967 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.628 ' CE2' ' O ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -64.14 129.81 41.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 110.993 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.712 HG22 ' HB2' ' A' ' 80' ' ' HIS . 44.9 p -78.4 156.31 29.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.165 . . . . 0.0 110.382 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.543 HD12 ' N ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -37.87 -32.03 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 8' ' ' THR . 0.4 OUTLIER -43.33 -29.97 0.47 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 110.276 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -97.75 -52.63 3.68 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.44 1.087 . . . . 0.0 110.287 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.58 HD13 ' HB2' ' A' ' 79' ' ' LEU . 3.6 mp -53.31 -38.92 33.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.42 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 5.1 pt20 -72.86 -27.64 62.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.05 -6.02 39.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.221 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.663 ' ND1' ' CZ2' ' A' ' 22' ' ' TRP . 10.7 m-70 -118.52 59.81 0.81 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.599 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.38 64.05 0.61 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.543 1.152 . . . . 0.0 109.331 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -149.99 165.56 32.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.235 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 76.6 p -61.24 -36.18 79.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.94 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.6 -49.88 71.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.582 1.176 . . . . 0.0 109.32 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.99 105.95 7.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.968 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.487 HG23 ' CB ' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -141.4 128.83 21.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.442 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.663 ' CZ2' ' ND1' ' A' ' 15' ' ' HIS . 1.9 m0 -125.41 -175.02 3.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 107.979 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.705 HG23 HD23 ' A' ' 25' ' ' LEU . 10.6 m -157.16 110.26 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.738 HG22 ' HB ' ' A' ' 29' ' ' VAL . 1.3 pp -69.78 94.71 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.438 1.086 . . . . 0.0 109.308 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.705 HD23 HG23 ' A' ' 23' ' ' VAL . 2.9 pp -117.94 142.91 46.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.087 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 1.2 m170 53.51 32.78 14.8 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.538 1.149 . . . . 0.0 109.631 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.534 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 19.1 t-160 69.41 7.62 6.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.566 1.166 . . . . 0.0 109.613 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.442 ' O ' ' O ' ' A' ' 25' ' ' LEU . 4.8 mttm -126.63 122.64 35.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.324 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.98 HG13 HG12 ' A' ' 76' ' ' ILE . 2.8 p -85.01 139.1 17.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.896 ' CE2' HD11 ' A' ' 75' ' ' ILE . 4.3 m-85 -120.35 130.03 54.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 111.018 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.62 ' CB ' HG22 ' A' ' 76' ' ' ILE . 6.0 t0 -88.22 85.09 6.87 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.531 HD23 ' C ' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -94.39 20.47 8.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.551 1.157 . . . . 0.0 109.322 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -67.29 -16.22 64.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 110.438 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -90.22 -52.48 4.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.584 ' CZ ' ' HB2' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -83.13 6.35 19.49 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.505 1.128 . . . . 0.0 111.005 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.486 HD11 ' CG2' ' A' ' 21' ' ' THR . 0.2 OUTLIER -54.36 -37.76 65.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.241 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -82.99 -20.07 35.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.303 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -84.61 -9.93 57.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.295 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.613 ' HD1' HD21 ' A' ' 46' ' ' LEU . 33.3 t-80 -82.81 132.59 50.98 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.635 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.586 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.4 Cg_endo -74.91 -17.04 20.1 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.552 1.817 . . . . 0.0 111.019 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.589 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -54.64 -80.72 0.07 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.519 1.137 . . . . 0.0 111.029 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.484 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -173.93 -167.89 34.15 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 16.0 tt0 -121.91 -13.65 8.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 0.763 . . . . 0.0 110.296 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -117.22 -1.25 11.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.489 HG22 HD23 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -100.45 -32.85 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.613 HD21 ' HD1' ' A' ' 39' ' ' HIS . 6.3 mt -70.04 -47.14 63.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.519 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 0.3 OUTLIER -75.61 -27.92 58.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.273 -179.91 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -44.99 -35.09 2.73 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.563 1.165 . . . . 0.0 110.298 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.406 ' O ' ' HB2' ' A' ' 54' ' ' ALA . 11.7 mm100 -115.06 29.98 7.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.581 1.175 . . . . 0.0 110.365 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.519 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -99.29 67.63 1.58 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.09 -37.03 0.03 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.458 1.099 . . . . 0.0 111.022 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.408 ' O ' ' CG1' ' A' ' 24' ' ' ILE . . . -118.23 -121.22 3.07 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.418 ' OD1' ' HG2' ' A' ' 56' ' ' GLU . 11.6 t70 -109.85 115.67 30.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 0.754 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 49' ' ' GLN . . . -105.36 -21.24 13.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.346 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.473 ' HB ' ' CB ' ' A' ' 25' ' ' LEU . 0.3 OUTLIER -49.54 -21.9 1.1 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 110.42 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.461 ' HG3' ' N ' ' A' ' 57' ' ' ASN . 1.0 OUTLIER -80.55 -36.04 33.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 110.249 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.461 ' N ' ' HG3' ' A' ' 56' ' ' GLU . 5.0 m-20 -90.2 -28.08 19.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.687 ' CD1' ' CE1' ' A' ' 63' ' ' HIS . 10.6 t80 -71.78 -39.23 70.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.418 1.074 . . . . 0.0 110.979 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.434 ' CG ' ' O ' ' A' ' 55' ' ' THR . 2.4 pp20? -79.38 -18.73 51.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.269 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.4 ' HB3' ' O ' ' A' ' 57' ' ' ASN . 12.8 t70 -52.0 -54.44 29.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.453 ' H ' HG12 ' A' ' 61' ' ' VAL . 0.5 OUTLIER -63.83 -19.09 23.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 109.336 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 72.58 78.62 0.5 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.547 1.154 . . . . 0.0 111.025 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.687 ' CE1' ' CD1' ' A' ' 58' ' ' PHE . 58.2 m80 -77.66 135.51 38.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 0.784 . . . . 0.0 109.591 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.48 ' O ' ' HB ' ' A' ' 67' ' ' VAL . 23.5 t -80.39 156.39 26.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.951 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 94.7 m -50.55 -17.46 0.51 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.399 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.429 ' N ' ' C ' ' A' ' 64' ' ' SER . 1.0 OUTLIER -67.09 -9.8 43.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.247 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.647 HG22 ' CHB' ' A' ' 95' ' ' HEM . 0.5 OUTLIER -77.05 -33.87 21.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 109.306 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 60.6 ttt-85 -54.59 -41.2 69.61 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.513 1.133 . . . . 0.0 110.227 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.409 ' HG2' ' N ' ' A' ' 70' ' ' LEU . 4.2 pt-20 -59.7 -31.33 69.49 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.52 1.138 . . . . 0.0 110.265 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.409 ' N ' ' HG2' ' A' ' 69' ' ' GLU . 2.8 mm? -71.38 -45.95 61.56 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.544 1.153 . . . . 0.0 109.348 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.18 75.92 10.14 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.468 1.105 . . . . 0.0 109.921 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -118.37 -50.82 2.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.343 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.439 HG22 ' CD1' ' A' ' 74' ' ' TYR . 0.5 OUTLIER -99.2 -20.17 16.75 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 110.417 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.439 ' CD1' HG22 ' A' ' 73' ' ' THR . 8.8 m-85 -86.04 40.43 0.86 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 111.065 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.896 HD11 ' CE2' ' A' ' 30' ' ' TYR . 1.4 mm -110.6 154.26 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 109.301 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.98 HG12 HG13 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -122.88 -42.34 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.583 1.177 . . . . 0.0 109.253 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.743 ' HA3' HG21 ' A' ' 4' ' ' VAL . . . 150.63 -114.51 0.65 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.498 1.124 . . . . 0.0 111.035 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -164.08 119.67 1.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.772 . . . . 0.0 110.274 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.859 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -58.95 162.97 3.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.57 1.169 . . . . 0.0 109.299 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.712 ' HB2' HG22 ' A' ' 8' ' ' THR . 4.7 t-80 -40.15 143.42 0.62 Allowed Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.557 1.16 . . . . 0.0 109.629 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.54 ' HD2' ' CG ' ' A' ' 80' ' ' HIS . 18.2 Cg_endo -75.05 -35.47 3.08 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.601 1.843 . . . . 0.0 111.015 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.596 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 1.1 m-20 -70.56 -38.95 74.21 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.45 1.094 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.408 ' OD2' HD11 ' A' ' 9' ' ' LEU . 3.0 m-20 -76.62 -20.57 56.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.804 ' HB2' HD11 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -72.13 -31.55 66.1 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.116 . . . . 0.0 110.327 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.11 -5.06 55.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.157 . . . . 0.0 109.987 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.4 -37.07 44.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.595 1.184 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.422 ' O ' ' C ' ' A' ' 88' ' ' ALA . 20.7 mt -69.21 -15.17 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 87' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.446 1.091 . . . . 0.0 109.253 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' HEM . . . . . 0.647 ' CHB' HG22 ' A' ' 67' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.407 HG11 ' HG2' ' A' ' 78' ' ' GLU . 2.2 t . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.608 ' O ' ' CZ ' ' A' ' 7' ' ' TYR . 0.1 OUTLIER -105.36 136.26 45.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -87.11 93.25 9.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.971 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.608 ' CZ ' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -103.62 129.89 50.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 110.998 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.595 HG22 ' HB2' ' A' ' 80' ' ' HIS . 69.1 p -77.29 158.98 29.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.421 1.075 . . . . 0.0 110.371 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.537 ' CD1' HD23 ' A' ' 79' ' ' LEU . 2.2 mp -41.0 -32.53 0.24 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.514 1.134 . . . . 0.0 109.36 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.404 ' N ' ' C ' ' A' ' 8' ' ' THR . 2.8 tt0 -47.29 -22.92 0.47 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.567 ' O ' ' CD2' ' A' ' 15' ' ' HIS . 9.7 mm-40 -97.29 -56.03 2.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 110.296 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.7 mp -54.06 -38.53 38.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.511 1.132 . . . . 0.0 109.326 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.401 ' OE1' ' HA ' ' A' ' 13' ' ' GLN . 56.3 mm-40 -58.36 -44.28 88.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.3 -9.39 58.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.077 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.797 ' CD2' ' CH2' ' A' ' 22' ' ' TRP . 90.5 m-70 -97.51 36.27 1.52 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 109.619 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.29 44.73 1.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.289 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -118.71 169.96 9.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.95 63.46 6.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 110.012 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.9 ptmt -170.22 -41.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.614 1.196 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.509 ' HA ' HG21 ' A' ' 33' ' ' THR . 0.3 OUTLIER -135.04 68.91 1.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.989 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.958 HG21 ' HB3' ' A' ' 47' ' ' ARG . 1.3 m -102.24 116.73 33.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.115 . . . . 0.0 110.431 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.797 ' CH2' ' CD2' ' A' ' 15' ' ' HIS . 6.8 m0 -108.18 -173.8 2.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 108.063 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.698 HG13 ' O ' ' A' ' 22' ' ' TRP . 2.9 m -160.13 107.36 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.908 HG22 ' O ' ' A' ' 52' ' ' GLY . 1.1 tt -65.16 130.49 30.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.346 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.555 ' O ' HD12 ' A' ' 25' ' ' LEU . 4.0 pp -151.35 118.01 5.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 67.92 35.81 3.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 0.0 109.614 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.559 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 3.1 t-80 68.06 6.82 5.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.584 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.41 ' HD3' ' N ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -120.13 112.93 19.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 109.328 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.942 HG13 HG12 ' A' ' 76' ' ' ILE . 6.2 p -83.83 139.48 17.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.853 ' CE2' HD11 ' A' ' 75' ' ' ILE . 4.9 m-85 -118.69 141.58 48.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.555 1.159 . . . . 0.0 110.982 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.612 ' CB ' HG22 ' A' ' 76' ' ' ILE . 3.2 t0 -99.04 87.55 3.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.255 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.758 HD13 HBB2 ' A' ' 95' ' ' HEM . 0.1 OUTLIER -102.88 32.65 3.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.103 . . . . 0.0 109.248 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.622 HG22 ' O ' ' A' ' 21' ' ' THR . 1.2 p -75.75 -19.21 59.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.404 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.02 -51.69 5.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.614 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -83.07 7.49 15.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 111.014 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.434 HD12 ' O ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -55.93 -40.34 72.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.06 -19.85 39.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 110.292 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -85.32 -6.04 59.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.56 1.162 . . . . 0.0 110.284 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.601 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 26.1 t-80 -85.32 130.26 52.36 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.586 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.601 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.2 Cg_endo -75.01 0.29 9.09 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.513 1.796 . . . . 0.0 111.039 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.582 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -73.31 -80.26 0.45 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.472 1.108 . . . . 0.0 110.998 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.476 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.19 -168.43 35.05 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.427 ' O ' ' CG ' ' A' ' 43' ' ' GLU . 12.6 tt0 -121.83 -11.54 8.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 0.783 . . . . 0.0 110.297 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.547 ' CG ' ' O ' ' A' ' 44' ' ' GLU . 5.2 tt0 -119.12 -2.41 10.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.506 HG22 HD23 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -100.09 -29.09 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.328 179.923 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.542 HD21 ' HD1' ' A' ' 39' ' ' HIS . 1.7 mt -76.17 -34.5 59.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 109.334 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.958 ' HB3' HG21 ' A' ' 21' ' ' THR . 5.5 ptm180 -88.38 -24.67 23.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.413 1.071 . . . . 0.0 110.302 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -47.06 -23.79 0.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.21 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.406 ' N ' ' C ' ' A' ' 47' ' ' ARG . 93.9 mm-40 -121.64 33.92 5.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 110.349 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.814 ' HB2' HG23 ' A' ' 21' ' ' THR . . . -88.92 49.46 1.79 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 109.336 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.44 -32.78 0.02 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.571 1.169 . . . . 0.0 111.063 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.908 ' O ' HG22 ' A' ' 24' ' ' ILE . . . -108.02 -137.7 8.34 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.408 ' OD1' ' N ' ' A' ' 53' ' ' ASP . 6.6 p-10 -109.71 119.36 39.15 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 0.761 . . . . 0.0 109.276 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -95.91 -17.46 21.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.485 ' HA ' ' HB3' ' A' ' 58' ' ' PHE . 0.5 OUTLIER -49.65 -35.93 23.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.405 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.63 -47.82 82.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 110.312 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.467 ' CB ' HBC1 ' A' ' 95' ' ' HEM . 90.2 m-20 -78.46 -35.49 46.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.113 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.569 ' CD1' ' C ' ' A' ' 58' ' ' PHE . 0.7 OUTLIER -65.89 -39.52 90.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 111.038 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.414 ' C ' ' CD ' ' A' ' 59' ' ' GLU . 1.8 pp20? -80.3 -19.98 45.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 110.374 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.17 -56.17 16.66 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.484 1.115 . . . . 0.0 109.353 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.443 HG12 ' O ' ' A' ' 57' ' ' ASN . 0.8 OUTLIER -59.99 -19.58 17.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.09 . . . . 0.0 109.313 179.93 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.95 78.23 0.3 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.461 1.101 . . . . 0.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.465 ' ND1' ' O ' ' A' ' 58' ' ' PHE . 53.8 m80 -71.44 140.08 49.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 0.771 . . . . 0.0 109.551 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.416 ' O ' ' HB ' ' A' ' 67' ' ' VAL . 0.4 OUTLIER -62.35 159.19 15.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.117 . . . . 0.0 109.966 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 52.0 m -68.57 -7.14 29.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.346 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.779 ' O ' HD23 ' A' ' 70' ' ' LEU . 27.5 m-20 -93.39 7.77 43.17 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.422 1.076 . . . . 0.0 109.233 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.701 HG22 HMB1 ' A' ' 95' ' ' HEM . 0.4 OUTLIER -89.16 -33.63 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.31 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.42 -35.19 67.55 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.438 1.086 . . . . 0.0 110.307 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 66' ' ' ASP . 6.2 pt-20 -82.17 -26.99 32.93 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.105 . . . . 0.0 110.257 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.779 HD23 ' O ' ' A' ' 66' ' ' ASP . 0.9 OUTLIER -52.67 -70.99 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 109.246 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 57.5 p -72.91 59.22 0.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.995 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.37 -45.6 11.74 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.589 1.18 . . . . 0.0 109.278 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.7 m -93.69 -10.69 33.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.36 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 18.3 m-30 -90.88 18.26 6.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 111.032 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.853 HD11 ' CE2' ' A' ' 30' ' ' TYR . 1.5 mm -88.48 151.31 3.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.942 HG12 HG13 ' A' ' 29' ' ' VAL . 0.1 OUTLIER -118.66 -43.61 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.339 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 149.59 -116.6 0.8 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.489 1.118 . . . . 0.0 110.961 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.407 ' HG2' HG11 ' A' ' 4' ' ' VAL . 6.6 pt-20 -165.43 119.64 1.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 0.777 . . . . 0.0 110.25 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.9 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -50.06 159.06 0.46 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.595 ' HB2' HG22 ' A' ' 8' ' ' THR . 3.4 t-80 -34.93 140.26 0.3 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.465 1.103 . . . . 0.0 109.562 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 80' ' ' HIS . 18.2 Cg_endo -75.08 -24.01 13.1 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.427 1.751 . . . . 0.0 110.925 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.441 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 0.9 OUTLIER -76.9 -40.48 47.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.095 . . . . 0.0 109.3 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.433 ' HB2' ' CD2' ' A' ' 79' ' ' LEU . 1.2 m-20 -75.2 -26.11 58.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.709 ' HB2' HD11 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -64.75 -32.87 74.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.288 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 10.7 t -84.64 -11.15 56.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.17 . . . . 0.0 110.031 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 6.5 mttp -74.73 -35.28 62.67 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.466 ' O ' ' C ' ' A' ' 88' ' ' ALA . 9.3 mt -62.17 -14.66 12.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.466 ' C ' ' O ' ' A' ' 87' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.358 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' HEM . . . . . 0.758 HBB2 HD13 ' A' ' 32' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.763 HG21 ' CA ' ' A' ' 77' ' ' GLY . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.635 ' O ' ' CE2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -87.8 131.16 34.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.295 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -86.6 86.91 7.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 111.029 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.635 ' CE2' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -94.78 129.81 41.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.978 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.476 ' HB ' ' OD2' ' A' ' 83' ' ' ASP . 39.7 p -75.57 156.33 35.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.411 1.07 . . . . 0.0 110.443 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.614 HD11 ' OD1' ' A' ' 83' ' ' ASP . 0.2 OUTLIER -43.4 -26.24 0.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.432 1.082 . . . . 0.0 109.278 180.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.439 ' H ' HD12 ' A' ' 9' ' ' LEU . 3.8 tt0 -47.09 -29.76 2.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.634 ' O ' ' CD2' ' A' ' 15' ' ' HIS . 14.1 mm-40 -96.34 -53.95 3.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 110.274 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.544 ' H ' HD12 ' A' ' 12' ' ' ILE . 4.3 mp -53.48 -39.12 35.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -68.36 -36.51 79.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 110.273 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -75.04 -9.57 58.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.808 ' CD2' ' CH2' ' A' ' 22' ' ' TRP . 93.4 m-70 -100.92 55.23 0.85 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 109.587 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -110.09 54.98 0.65 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -138.24 151.63 47.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 48.8 p -51.96 -31.65 30.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.002 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.467 ' O ' HG21 ' A' ' 33' ' ' THR . 3.9 ptmt -71.1 -38.61 72.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.603 1.189 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.2 102.52 4.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.569 1.168 . . . . 0.0 109.967 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.848 HG23 ' CB ' ' A' ' 50' ' ' ALA . 2.3 m -139.99 117.67 11.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.414 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.808 ' CH2' ' CD2' ' A' ' 15' ' ' HIS . 0.8 OUTLIER -124.68 178.48 5.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 107.909 -179.933 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.767 ' HB ' ' HB3' ' A' ' 54' ' ' ALA . 6.2 m -153.64 111.02 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.614 1.196 . . . . 0.0 109.267 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.717 HG22 ' HB ' ' A' ' 29' ' ' VAL . 1.4 pp -63.38 102.89 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.608 HD23 HG23 ' A' ' 23' ' ' VAL . 2.8 pp -133.19 132.36 41.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.474 1.109 . . . . 0.0 109.407 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.602 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 0.1 OUTLIER 70.09 29.51 3.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.585 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.602 ' CD2' ' O ' ' A' ' 26' ' ' HIS . 0.0 OUTLIER 70.19 6.14 5.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.586 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.539 ' HD2' ' CD2' ' A' ' 27' ' ' HIS . 0.1 OUTLIER -134.34 122.86 23.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.324 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.89 HG13 HG12 ' A' ' 76' ' ' ILE . 2.5 p -80.3 144.68 10.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.091 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.969 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 4.7 m-85 -119.41 133.81 55.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.949 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.577 ' CB ' HG22 ' A' ' 76' ' ' ILE . 8.3 t0 -91.97 80.34 5.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 109.339 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.559 HD21 HG22 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -88.93 14.81 9.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.467 HG21 ' O ' ' A' ' 19' ' ' LYS . 0.5 OUTLIER -64.71 -16.26 62.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.34 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -90.14 -51.6 5.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.113 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.62 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -87.42 11.62 14.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 111.042 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.452 ' CD1' ' HA ' ' A' ' 33' ' ' THR . 0.1 OUTLIER -61.88 -33.06 73.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -84.66 -20.74 30.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -85.21 -25.96 27.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 110.258 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.593 ' HB2' ' CZ ' ' A' ' 35' ' ' PHE . 38.1 t-80 -64.04 133.39 95.58 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.582 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.575 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.3 Cg_endo -74.96 -14.51 21.22 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.45 1.763 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.579 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -58.14 -78.75 0.12 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.454 1.096 . . . . 0.0 110.988 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.477 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.05 -163.78 28.03 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.435 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 13.5 tt0 -121.17 -15.07 8.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 0.762 . . . . 0.0 110.275 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.532 ' HA ' ' CG ' ' A' ' 47' ' ' ARG . 3.3 pm0 -115.51 -27.55 7.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 110.247 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.477 ' CG1' ' HA3' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -71.2 -30.7 41.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.487 HD21 ' HD1' ' A' ' 39' ' ' HIS . 3.8 mt -73.12 -44.01 60.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.827 ' HB3' HG21 ' A' ' 21' ' ' THR . 7.8 ptm180 -82.32 -21.34 36.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.157 . . . . 0.0 110.292 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 44' ' ' GLU . 0.6 OUTLIER -45.0 -29.48 0.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.24 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.721 ' O ' HG12 ' A' ' 23' ' ' VAL . 39.4 mm-40 -118.73 37.22 4.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 110.285 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.848 ' CB ' HG23 ' A' ' 21' ' ' THR . . . -99.1 68.54 1.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.269 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.17 -39.36 0.03 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.405 ' O ' ' CG1' ' A' ' 24' ' ' ILE . . . -117.85 -124.43 3.43 Favored Glycine 0 CA--C 1.531 1.061 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -109.88 115.87 30.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.573 0.808 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.767 ' HB3' ' HB ' ' A' ' 23' ' ' VAL . . . -96.28 -15.37 21.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.47 ' O ' ' CG ' ' A' ' 59' ' ' GLU . 0.8 OUTLIER -49.71 -24.43 2.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.439 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -79.26 -40.81 29.62 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.517 1.136 . . . . 0.0 110.315 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -85.52 -28.21 25.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.731 ' CE1' ' C4B' ' A' ' 95' ' ' HEM . 9.8 t80 -73.16 -39.68 65.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.419 1.074 . . . . 0.0 110.971 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.47 ' CG ' ' O ' ' A' ' 55' ' ' THR . 2.4 pp20? -79.41 -15.64 57.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.337 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -54.01 -51.79 62.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.264 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.451 ' H ' HG12 ' A' ' 61' ' ' VAL . 0.6 OUTLIER -69.0 -16.18 20.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.14 79.29 0.23 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.453 1.096 . . . . 0.0 110.929 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.689 ' CE1' ' CD1' ' A' ' 58' ' ' PHE . 64.7 m80 -74.74 140.08 43.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 0.755 . . . . 0.0 109.535 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.406 ' O ' ' HB ' ' A' ' 67' ' ' VAL . 3.7 m -71.83 170.11 14.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.017 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 14.5 t -65.19 -8.31 16.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.589 1.181 . . . . 0.0 110.438 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.402 ' O ' HD23 ' A' ' 70' ' ' LEU . 69.2 m-20 -77.64 -13.23 59.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.564 HG21 ' CD2' ' A' ' 63' ' ' HIS . 0.8 OUTLIER -74.22 -37.37 45.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.561 1.163 . . . . 0.0 109.3 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.9 ttp85 -64.34 -28.62 69.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 66' ' ' ASP . 11.4 pt-20 -97.56 14.28 27.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 110.303 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.402 HD23 ' O ' ' A' ' 66' ' ' ASP . 0.2 OUTLIER -91.33 -66.43 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.252 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.35 84.66 7.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.962 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.92 -56.02 3.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.9 m -85.36 -28.4 25.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.143 . . . . 0.0 110.352 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.424 ' O ' ' C ' ' A' ' 75' ' ' ILE . 22.3 m-30 -62.45 -38.39 89.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.969 HD11 ' CZ ' ' A' ' 30' ' ' TYR . 1.0 OUTLIER -37.84 140.23 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.89 HG12 HG13 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -102.93 -47.73 10.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 0.0 109.241 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.763 ' CA ' HG21 ' A' ' 4' ' ' VAL . . . 159.31 -111.46 0.48 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.493 1.12 . . . . 0.0 111.005 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -169.11 119.4 0.71 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 0.769 . . . . 0.0 110.297 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.988 HD11 ' HB3' ' A' ' 84' ' ' ARG . 0.0 OUTLIER -59.69 158.59 9.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 109.264 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.472 ' CG ' ' HD2' ' A' ' 81' ' ' PRO . 4.8 t-80 -37.03 141.77 0.39 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.616 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.587 ' O ' ' HG3' ' A' ' 84' ' ' ARG . 18.2 Cg_endo -74.9 -26.8 10.79 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.502 1.791 . . . . 0.0 110.98 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.452 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 0.6 OUTLIER -80.68 -18.84 46.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.344 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.614 ' OD1' HD11 ' A' ' 9' ' ' LEU . 1.8 m-20 -86.53 -43.5 12.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.356 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.988 ' HB3' HD11 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -59.66 -28.52 67.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 110.291 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.44 ' N ' ' HD3' ' A' ' 84' ' ' ARG . 46.8 t -86.51 -11.65 51.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 110.021 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -79.72 -31.68 41.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.483 HD13 ' HA ' ' A' ' 87' ' ' ILE . 5.5 mm -70.66 -5.86 6.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.98 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' HEM . . . . . 0.731 ' C4B' ' CE1' ' A' ' 58' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.63 HG21 ' CA ' ' A' ' 77' ' ' GLY . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.617 ' O ' ' CE1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -84.83 141.1 30.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.416 1.073 . . . . 0.0 109.246 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -94.89 92.76 7.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.972 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.617 ' CE1' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -96.95 129.97 44.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.592 HG22 ' HB2' ' A' ' 80' ' ' HIS . 34.4 p -79.72 156.05 27.71 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.539 1.15 . . . . 0.0 110.379 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.526 HD12 ' N ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -35.13 -36.93 0.06 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.488 1.117 . . . . 0.0 109.35 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 8' ' ' THR . 2.5 tt0 -38.9 -29.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.4 1.062 . . . . 0.0 110.311 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.444 ' N ' ' O ' ' A' ' 9' ' ' LEU . 9.8 mm-40 -99.57 -49.7 4.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 110.267 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.537 HD12 ' CZ3' ' A' ' 22' ' ' TRP . 1.3 mp -54.23 -38.02 37.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -76.06 -25.93 56.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.403 1.064 . . . . 0.0 110.349 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.1 -10.5 59.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.512 1.133 . . . . 0.0 109.349 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.68 ' ND1' ' CZ2' ' A' ' 22' ' ' TRP . 13.3 m-70 -113.0 58.68 0.65 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.631 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -110.06 62.07 0.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -158.64 161.86 37.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.254 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 91.5 p -52.07 -47.43 65.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.396 1.06 . . . . 0.0 109.939 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.0 -63.62 0.89 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.139 . . . . 0.0 109.254 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.5 104.45 7.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.954 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.526 HG23 ' HB2' ' A' ' 50' ' ' ALA . 0.6 OUTLIER -136.52 124.65 23.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.367 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.68 ' CZ2' ' ND1' ' A' ' 15' ' ' HIS . 0.8 OUTLIER -124.54 178.54 5.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 108.01 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.668 HG22 HD21 ' A' ' 32' ' ' LEU . 18.8 m -154.56 110.64 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.085 . . . . 0.0 109.322 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.594 HG22 ' HB ' ' A' ' 29' ' ' VAL . 1.1 pp -60.83 130.67 25.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.53 1.144 . . . . 0.0 109.364 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.452 HD12 ' HB2' ' A' ' 26' ' ' HIS . 2.3 pp -165.7 130.15 2.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.452 ' HB2' HD12 ' A' ' 25' ' ' LEU . 0.5 OUTLIER 70.18 19.01 6.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.624 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 19.3 t60 69.84 36.99 1.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 109.562 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.624 ' O ' ' CD1' ' A' ' 30' ' ' TYR . 0.2 OUTLIER -164.06 94.57 0.75 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.446 1.091 . . . . 0.0 109.334 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.928 HG13 HG12 ' A' ' 76' ' ' ILE . 2.7 p -58.68 146.93 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 1.174 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 19.9 m-85 -118.91 136.16 54.2 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.525 1.141 . . . . 0.0 111.063 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.615 ' CB ' HG22 ' A' ' 76' ' ' ILE . 6.3 t0 -91.6 78.55 5.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.668 HD21 HG22 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -86.16 15.4 5.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.405 ' HA ' HD12 ' A' ' 36' ' ' LEU . 0.6 OUTLIER -64.02 -19.9 65.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 0.0 110.31 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.0 tptp -90.39 -54.93 3.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.602 ' CZ ' ' HB2' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -81.79 8.93 8.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 111.046 179.912 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.949 ' HG ' HD12 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -51.4 -35.49 39.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -85.15 -22.74 28.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.236 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -83.29 -2.76 56.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.443 1.089 . . . . 0.0 110.246 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.71 ' ND1' HD21 ' A' ' 46' ' ' LEU . 30.0 t-80 -88.07 132.3 40.23 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.575 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.63 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.4 Cg_endo -75.0 -10.23 21.12 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.494 1.786 . . . . 0.0 111.015 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.6 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -65.33 -81.14 0.13 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.47 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.13 -163.96 28.37 Favored Glycine 0 CA--C 1.531 1.066 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -115.57 -17.36 11.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 0.803 . . . . 0.0 110.305 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.568 ' O ' ' N ' ' A' ' 48' ' ' GLU . 1.3 pm0 -109.6 -32.38 7.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.314 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.503 ' O ' ' HB3' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -56.85 -40.55 72.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.949 HD12 ' HG ' ' A' ' 36' ' ' LEU . 6.2 mt -64.89 -63.12 1.19 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.56 1.162 . . . . 0.0 109.223 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.535 ' CG ' ' HA ' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -61.85 -22.74 65.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.237 -179.933 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.568 ' N ' ' O ' ' A' ' 44' ' ' GLU . 1.2 tt0 -54.41 -32.92 58.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.286 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 67.0 mm-40 -114.46 18.69 16.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.36 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.526 ' HB2' HG23 ' A' ' 21' ' ' THR . . . -86.87 68.98 10.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.16 -37.63 0.03 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.457 1.098 . . . . 0.0 111.017 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -121.55 -125.63 3.18 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.418 ' HA ' HG13 ' A' ' 24' ' ' ILE . 8.7 p-10 -109.86 118.2 35.85 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.498 0.764 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.565 ' HB3' ' HB ' ' A' ' 23' ' ' VAL . . . -100.15 -14.04 18.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 109.345 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.491 ' HA ' ' HB3' ' A' ' 58' ' ' PHE . 0.7 OUTLIER -49.86 -35.56 23.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 110.36 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.11 -47.27 80.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.404 ' HB3' HBC1 ' A' ' 95' ' ' HEM . 15.9 m-80 -79.81 -30.9 40.63 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.429 1.081 . . . . 0.0 109.237 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.561 ' CD1' ' C ' ' A' ' 58' ' ' PHE . 0.7 OUTLIER -70.44 -39.8 74.13 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.475 1.109 . . . . 0.0 110.981 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.426 ' C ' ' CD ' ' A' ' 59' ' ' GLU . 2.2 pp20? -78.03 -20.77 51.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 110.316 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -59.42 -55.42 34.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.446 1.091 . . . . 0.0 109.283 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -62.76 -19.54 23.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 69.42 78.61 0.34 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.505 1.128 . . . . 0.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.468 ' ND1' ' O ' ' A' ' 58' ' ' PHE . 56.0 m80 -71.02 140.16 50.71 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.464 0.743 . . . . 0.0 109.592 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 21.6 m -62.71 167.74 4.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.578 1.174 . . . . 0.0 109.973 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 8.1 t -75.67 -9.77 58.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.412 1.07 . . . . 0.0 110.403 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.426 ' O ' HD23 ' A' ' 70' ' ' LEU . 45.8 m-20 -88.14 -1.33 57.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.549 HG22 ' CHB' ' A' ' 95' ' ' HEM . 1.1 t -82.65 -38.92 15.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.22 -19.48 65.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.327 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -98.78 -24.29 15.07 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.458 1.099 . . . . 0.0 110.351 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.426 HD23 ' O ' ' A' ' 66' ' ' ASP . 0.3 OUTLIER -55.12 -66.6 0.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 39.1 m -79.1 69.85 5.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.959 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.5 mtpt -86.06 -48.79 8.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.7 m -84.45 -32.15 24.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 110.377 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.44 ' O ' ' C ' ' A' ' 75' ' ' ILE . 17.3 m-85 -60.63 -39.53 88.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 111.019 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 1.174 HD11 ' CZ ' ' A' ' 30' ' ' TYR . 0.8 OUTLIER -35.78 139.87 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.337 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.928 HG12 HG13 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -102.58 -44.28 9.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.63 ' CA ' HG21 ' A' ' 4' ' ' VAL . . . 157.14 -110.77 0.46 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.49 1.119 . . . . 0.0 110.956 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.404 ' HG2' HG11 ' A' ' 4' ' ' VAL . 8.8 pt-20 -170.16 119.48 0.6 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.42 0.718 . . . . 0.0 110.31 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.965 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -59.08 157.66 9.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.353 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.592 ' HB2' HG22 ' A' ' 8' ' ' THR . 4.4 t-80 -36.45 139.09 0.46 Allowed Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.502 1.126 . . . . 0.0 109.625 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 80' ' ' HIS . 18.3 Cg_endo -75.01 -29.64 8.0 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.493 1.786 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.427 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 0.4 OUTLIER -74.48 -31.88 62.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.423 ' OD2' HD11 ' A' ' 9' ' ' LEU . 3.4 m-20 -86.74 -17.73 32.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.775 ' HB2' HD11 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -69.81 -30.26 67.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 0.0 110.366 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.1 t -90.49 -11.45 40.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.977 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 28.1 mttp -84.34 -28.83 26.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 45.9 mt -61.27 -13.85 9.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 -179.986 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' HEM . . . . . 0.549 ' CHB' HG22 ' A' ' 67' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.431 HG11 ' HG2' ' A' ' 78' ' ' GLU . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.631 ' O ' ' CZ ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -93.7 122.62 36.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.536 ' HB3' ' CD2' ' A' ' 80' ' ' HIS . 64.0 m-85 -85.63 98.79 10.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.969 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.631 ' CZ ' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -104.89 128.74 53.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.411 1.069 . . . . 0.0 111.019 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.495 ' HA ' HD23 ' A' ' 79' ' ' LEU . 44.0 p -76.34 165.33 25.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.409 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.421 ' CD1' ' H ' ' A' ' 9' ' ' LEU . 6.8 mp -42.31 -32.86 0.55 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.32 -21.86 1.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.429 ' O ' ' CD2' ' A' ' 15' ' ' HIS . 19.5 mm-40 -98.41 -56.32 2.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.466 1.103 . . . . 0.0 110.302 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.499 ' CD1' ' HB2' ' A' ' 79' ' ' LEU . 2.7 mp -55.45 -35.64 38.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 109.286 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.411 ' OE1' ' CA ' ' A' ' 51' ' ' GLY . 11.0 mm100 -55.51 -37.02 67.35 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.137 . . . . 0.0 110.386 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -75.04 -15.06 60.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.804 ' CD2' ' CH2' ' A' ' 22' ' ' TRP . 84.2 m-70 -104.26 49.18 0.82 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 109.563 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.16 49.84 0.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -148.9 166.53 28.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.7 p -52.53 -46.64 66.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.032 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -43.86 -57.61 3.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.416 1.073 . . . . 0.0 109.25 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 15' ' ' HIS . 0.1 OUTLIER -139.47 102.69 4.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.443 1.09 . . . . 0.0 110.041 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -125.35 121.28 33.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 110.43 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.804 ' CH2' ' CD2' ' A' ' 15' ' ' HIS . 2.1 m0 -122.23 179.54 4.52 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 1.065 HG22 HD21 ' A' ' 32' ' ' LEU . 30.7 m -156.63 107.2 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.407 1.067 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.614 HG22 ' O ' ' A' ' 52' ' ' GLY . 0.2 OUTLIER -63.79 107.54 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.536 HD23 HG23 ' A' ' 23' ' ' VAL . 4.3 pp -131.59 140.89 49.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.158 . . . . 0.0 109.203 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 53.78 35.33 21.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 1.119 . . . . 0.0 109.586 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.4 ' C ' ' HG3' ' A' ' 28' ' ' LYS . 19.4 m-70 66.66 10.48 7.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.615 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.435 ' O ' ' O ' ' A' ' 25' ' ' LEU . 24.2 mtpt -131.48 116.49 17.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.945 HG13 HG12 ' A' ' 76' ' ' ILE . 4.1 p -82.32 141.44 15.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.412 1.07 . . . . 0.0 109.259 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 1.07 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 4.2 m-85 -119.6 137.62 53.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.467 ' N ' ' CG2' ' A' ' 76' ' ' ILE . 9.0 t70 -92.47 81.03 4.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.358 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 1.065 HD21 HG22 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -86.13 20.08 2.44 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.3 -22.64 63.78 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 0.0 110.336 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.9 tptt -89.93 -51.65 5.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.632 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -83.14 10.09 9.02 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.433 1.083 . . . . 0.0 111.044 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.963 ' HG ' HD12 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -54.84 -43.68 73.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.137 . . . . 0.0 109.305 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.84 -23.2 49.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.3 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -81.74 -5.49 58.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 110.27 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.776 ' HD1' HD21 ' A' ' 46' ' ' LEU . 24.4 t-80 -88.02 130.84 44.88 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.154 . . . . 0.0 109.512 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.619 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.2 Cg_endo -75.06 -7.14 18.84 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.499 1.789 . . . . 0.0 111.015 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.579 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -66.06 -82.71 0.11 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.45 1.094 . . . . 0.0 111.007 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.507 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.21 -164.41 29.15 Favored Glycine 0 CA--C 1.529 0.952 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.45 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 20.2 tt0 -119.71 -21.29 7.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 0.785 . . . . 0.0 110.26 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -109.94 6.65 23.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.258 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.581 HG22 HD23 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -100.24 -44.05 11.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.128 . . . . 0.0 109.345 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.963 HD12 ' HG ' ' A' ' 36' ' ' LEU . 6.5 mt -60.73 -57.22 13.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.1 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.671 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -64.6 -27.31 68.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.394 1.059 . . . . 0.0 110.314 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -45.29 -29.5 1.03 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.127 . . . . 0.0 110.336 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -120.22 30.22 7.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 110.36 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.671 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -86.98 59.99 5.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.565 1.166 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.411 ' CA ' ' OE1' ' A' ' 13' ' ' GLN . . . -169.85 -37.14 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.485 1.116 . . . . 0.0 110.924 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.614 ' O ' HG22 ' A' ' 24' ' ' ILE . . . -110.48 -137.68 7.63 Favored Glycine 0 CA--C 1.53 1.008 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.459 ' HB2' HG22 ' A' ' 55' ' ' THR . 8.3 p-10 -109.69 116.06 31.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 0.77 . . . . 0.0 109.346 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.522 ' HB3' ' HB ' ' A' ' 23' ' ' VAL . . . -90.58 -15.12 31.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.459 HG22 ' HB2' ' A' ' 53' ' ' ASP . 0.5 OUTLIER -49.72 -27.4 4.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.43 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.57 -43.33 63.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.464 ' HB3' ' CBC' ' A' ' 95' ' ' HEM . 4.7 m120 -82.79 -32.35 27.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.531 ' CD1' ' C ' ' A' ' 58' ' ' PHE . 1.6 t80 -69.07 -39.77 78.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 111.002 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.434 ' CG ' ' O ' ' A' ' 55' ' ' THR . 1.9 pp20? -78.57 -19.38 52.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.432 1.083 . . . . 0.0 110.303 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -64.79 -55.68 18.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.474 HG21 ' C3D' ' A' ' 95' ' ' HEM . 0.9 OUTLIER -61.69 -20.19 22.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.254 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 67.04 80.65 0.18 Allowed Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.484 1.115 . . . . 0.0 110.931 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.686 ' HB3' HG21 ' A' ' 67' ' ' VAL . 70.2 m80 -70.3 135.18 48.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 0.77 . . . . 0.0 109.573 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.41 ' O ' ' HB ' ' A' ' 67' ' ' VAL . 0.2 OUTLIER -54.58 170.27 0.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.005 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.8 m -70.74 -25.86 63.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 110.334 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.33 -9.9 57.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.354 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.686 HG21 ' HB3' ' A' ' 63' ' ' HIS . 0.3 OUTLIER -70.58 -30.67 43.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -62.89 -36.0 81.87 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.527 1.142 . . . . 0.0 110.236 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -99.09 29.17 4.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 110.32 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.443 ' HB3' ' CMB' ' A' ' 95' ' ' HEM . 0.2 OUTLIER -97.24 -66.87 0.87 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.339 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 15.0 m -85.75 66.73 9.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 110.002 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.29 -51.58 11.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.9 m -87.45 -42.95 12.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 110.368 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.503 ' CE2' ' CB ' ' A' ' 35' ' ' PHE . 21.0 m-30 -44.69 -36.79 3.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.112 . . . . 0.0 111.012 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 1.07 HD11 ' CZ ' ' A' ' 30' ' ' TYR . 1.1 mm -39.2 140.94 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.607 1.192 . . . . 0.0 109.254 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.945 HG12 HG13 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -105.87 -45.38 8.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 151.16 -119.87 1.04 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.525 ' O ' ' HA ' ' A' ' 6' ' ' TYR . 1.6 pt-20 -147.64 121.22 9.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 0.794 . . . . 0.0 110.363 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.966 HD13 ' H ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -42.88 -46.37 5.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.1 . . . . 0.0 109.32 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.966 ' H ' HD13 ' A' ' 79' ' ' LEU . 4.8 t-80 172.32 145.38 0.16 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.61 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.555 ' HD2' ' CG ' ' A' ' 80' ' ' HIS . 18.3 Cg_endo -75.05 -28.29 9.21 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.492 1.785 . . . . 0.0 110.971 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -80.09 -61.55 1.95 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.519 ' HB2' HD21 ' A' ' 79' ' ' LEU . 1.0 OUTLIER -59.87 -18.26 43.02 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.567 1.167 . . . . 0.0 109.3 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.507 ' CB ' ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -63.85 -33.7 76.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.12 . . . . 0.0 110.259 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.475 ' N ' ' HD3' ' A' ' 84' ' ' ARG . 28.4 t -92.44 -9.98 39.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 110.031 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -73.94 -43.27 58.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.574 1.171 . . . . 0.0 109.29 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.406 ' O ' ' C ' ' A' ' 88' ' ' ALA . 4.1 mm -67.17 -18.12 23.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 87' ' ' ILE . . . . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.097 . . . . 0.0 109.287 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' HEM . . . . . 0.836 ' CBB' HD22 ' A' ' 32' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.637 HG21 ' CA ' ' A' ' 77' ' ' GLY . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.499 ' HB3' ' CE2' ' A' ' 7' ' ' TYR . 1.8 tttt -84.7 136.76 33.59 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.494 1.121 . . . . 0.0 109.254 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -94.19 93.83 8.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 110.975 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.566 ' CG ' ' OE2' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -102.35 129.97 48.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 110.965 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.776 HG22 ' CB ' ' A' ' 80' ' ' HIS . 35.8 p -80.66 162.35 24.23 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 1.091 . . . . 0.0 110.392 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.874 HD21 HD11 ' A' ' 87' ' ' ILE . 1.0 OUTLIER -35.19 -43.01 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.342 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 9' ' ' LEU . 4.6 tt0 -37.3 -29.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.366 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.566 ' OE2' ' CG ' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -95.17 -53.45 3.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 110.341 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.843 HD11 ' HB3' ' A' ' 79' ' ' LEU . 28.1 mt -52.54 -34.49 19.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.326 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.558 ' CG ' ' O ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -81.96 -25.11 35.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.265 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.21 -13.19 60.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.471 ' ND1' ' CZ2' ' A' ' 22' ' ' TRP . 6.6 m170 -119.29 57.65 0.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.525 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.405 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 4.0 ttpp -109.76 66.54 0.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.099 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.457 ' H ' ' HG1' ' A' ' 21' ' ' THR . 0.8 OUTLIER -160.08 153.51 22.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.436 ' O ' ' OG1' ' A' ' 33' ' ' THR . 0.3 OUTLIER -40.77 -54.48 2.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.1 . . . . 0.0 110.006 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 18' ' ' SER . 0.7 OUTLIER -39.62 -61.59 0.8 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -134.79 107.76 7.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 0.0 109.981 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.795 HG21 ' HB3' ' A' ' 47' ' ' ARG . 1.5 m -139.77 129.81 24.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.381 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.659 ' O ' HG13 ' A' ' 23' ' ' VAL . 0.3 OUTLIER -129.13 -173.41 2.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 108.018 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.659 HG13 ' O ' ' A' ' 22' ' ' TRP . 18.9 m -159.73 117.28 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.767 HD13 ' C ' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -74.6 112.49 11.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.414 1.072 . . . . 0.0 109.247 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.532 ' O ' HD12 ' A' ' 25' ' ' LEU . 3.8 pp -126.69 119.37 26.8 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.084 . . . . 0.0 109.272 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 62.95 38.09 11.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.564 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.537 ' CG ' ' HG3' ' A' ' 84' ' ' ARG . 3.4 m-70 67.38 22.16 9.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.55 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.3 mmtt -135.68 108.39 7.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 109.285 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.97 HG13 HG12 ' A' ' 76' ' ' ILE . 4.1 p -84.55 141.35 14.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 1.101 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 8.1 m-85 -124.91 132.26 53.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 111.023 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.517 ' OD1' HG22 ' A' ' 33' ' ' THR . 5.3 t0 -90.23 82.04 6.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.343 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.543 HD23 ' O ' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -90.41 24.17 2.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.573 1.17 . . . . 0.0 109.321 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.517 HG22 ' OD1' ' A' ' 31' ' ' ASP . 1.2 t -69.64 -18.79 63.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.431 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.6 tptm -90.14 -54.58 3.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.269 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.591 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -81.37 10.1 6.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 0.0 111.002 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.982 ' HG ' HD12 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -56.41 -41.8 76.92 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.44 1.087 . . . . 0.0 109.266 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.04 -28.27 54.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -81.52 -0.93 44.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.766 ' ND1' HD21 ' A' ' 46' ' ' LEU . 28.7 t-80 -89.65 132.16 37.68 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.668 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.624 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.2 Cg_endo -74.97 -18.39 18.85 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.489 1.784 . . . . 0.0 111.052 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.604 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -56.78 -81.9 0.06 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.462 1.101 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.18 -162.48 25.95 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.405 ' O ' ' CG ' ' A' ' 43' ' ' GLU . 10.3 tt0 -119.14 -13.44 9.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.775 . . . . 0.0 110.319 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.547 ' HA ' ' CG ' ' A' ' 47' ' ' ARG . 1.1 pm0 -113.05 -27.21 8.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.588 1.18 . . . . 0.0 110.309 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.416 ' O ' ' HB2' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -63.52 -45.18 98.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 109.333 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.982 HD12 ' HG ' ' A' ' 36' ' ' LEU . 4.3 mt -60.14 -59.26 5.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.342 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.795 ' HB3' HG21 ' A' ' 21' ' ' THR . 7.2 ptm180 -64.16 -25.23 67.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.268 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 44' ' ' GLU . 0.7 OUTLIER -46.12 -30.01 1.75 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.285 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.545 ' CB ' ' HB2' ' A' ' 54' ' ' ALA . 30.5 mm-40 -116.21 31.21 6.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.312 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.726 ' HB2' HG23 ' A' ' 21' ' ' THR . . . -88.94 53.19 2.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.147 . . . . 0.0 109.351 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.05 -34.51 0.02 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.528 ' O ' HG22 ' A' ' 24' ' ' ILE . . . -114.98 -133.04 5.39 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -109.67 121.41 45.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 0.782 . . . . 0.0 109.334 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.545 ' HB2' ' CB ' ' A' ' 49' ' ' GLN . . . -96.41 -16.34 21.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.443 ' HB ' ' HA ' ' A' ' 25' ' ' LEU . 0.5 OUTLIER -49.52 -29.96 7.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 110.365 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.14 -44.91 67.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.565 1.166 . . . . 0.0 110.29 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.402 ' O ' ' HB3' ' A' ' 60' ' ' ASP . 2.6 m120 -81.04 -32.19 34.2 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.545 ' CE1' ' HB2' ' A' ' 63' ' ' HIS . 1.5 t80 -69.87 -40.01 75.99 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 110.967 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.411 ' CG ' ' O ' ' A' ' 55' ' ' THR . 2.1 pp20? -78.2 -19.81 53.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.414 1.071 . . . . 0.0 110.276 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.402 ' HB3' ' O ' ' A' ' 57' ' ' ASN . 1.6 t70 -61.08 -53.78 52.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.367 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -67.68 -16.22 20.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 109.308 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 65.51 80.88 0.14 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.492 1.12 . . . . 0.0 111.033 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.545 ' HB2' ' CE1' ' A' ' 58' ' ' PHE . 64.7 m80 -74.46 139.96 44.28 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 0.781 . . . . 0.0 109.588 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.405 ' O ' ' HB ' ' A' ' 67' ' ' VAL . 53.4 m -64.4 168.86 5.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.025 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.2 t -74.7 -11.26 60.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.427 1.079 . . . . 0.0 110.432 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.713 ' O ' HD23 ' A' ' 70' ' ' LEU . 1.8 p-10 -86.26 -2.43 58.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.336 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.587 HG22 ' HHB' ' A' ' 95' ' ' HEM . 1.2 t -84.04 -38.27 13.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -63.28 -26.87 68.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 110.346 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -91.44 -34.62 14.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.372 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.713 HD23 ' O ' ' A' ' 66' ' ' ASP . 0.5 OUTLIER -48.4 -56.91 6.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.13 . . . . 0.0 109.254 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 80.0 p -81.65 72.46 8.69 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.48 1.113 . . . . 0.0 109.99 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.95 -51.92 5.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 109.247 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 18.3 m -80.59 -37.7 30.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.393 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -56.17 -34.8 66.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 111.019 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 1.101 HD11 ' CZ ' ' A' ' 30' ' ' TYR . 1.0 OUTLIER -42.61 140.65 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.97 HG12 HG13 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -104.67 -45.85 9.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.273 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.637 ' CA ' HG21 ' A' ' 4' ' ' VAL . . . 157.21 -111.0 0.47 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.453 1.095 . . . . 0.0 110.979 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -169.01 119.68 0.73 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.531 0.783 . . . . 0.0 110.257 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.897 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -53.21 159.16 1.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.269 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.776 ' CB ' HG22 ' A' ' 8' ' ' THR . 2.2 t-80 -35.26 141.27 0.29 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.414 1.071 . . . . 0.0 109.577 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 80' ' ' HIS . 18.1 Cg_endo -75.0 -27.13 10.27 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.578 1.83 . . . . 0.0 110.986 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -71.72 -48.15 49.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.411 ' CG ' ' HB ' ' A' ' 8' ' ' THR . 1.1 m-20 -65.6 -29.86 70.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.102 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.537 ' HG3' ' CG ' ' A' ' 27' ' ' HIS . 0.0 OUTLIER -60.54 -38.2 83.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.281 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 29.3 t -72.7 -12.72 61.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.075 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -93.43 -21.43 19.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.335 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.874 HD11 HD21 ' A' ' 9' ' ' LEU . 20.2 mm -67.48 -7.41 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.109 . . . . 0.0 109.232 -179.946 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' HEM . . . . . 0.631 HBC2 ' CMC' ' A' ' 95' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.661 HG21 ' HA3' ' A' ' 77' ' ' GLY . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.682 ' HG2' ' CE2' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -93.51 136.25 33.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -79.8 104.49 10.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 111.046 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.682 ' CE2' ' HG2' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -106.92 129.79 54.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.957 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.771 HG22 ' HB2' ' A' ' 80' ' ' HIS . 39.2 p -82.17 156.9 24.22 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 110.449 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.484 HD21 HD11 ' A' ' 87' ' ' ILE . 1.6 mp -35.15 -38.17 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.425 1.078 . . . . 0.0 109.346 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.415 ' N ' ' O ' ' A' ' 8' ' ' THR . 7.8 tt0 -39.03 -29.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 110.277 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.596 ' O ' ' CD2' ' A' ' 15' ' ' HIS . 4.5 mm-40 -95.23 -54.64 3.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 110.269 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.423 HD11 ' HB3' ' A' ' 79' ' ' LEU . 73.8 mt -49.93 -40.07 16.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.536 1.147 . . . . 0.0 109.267 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.418 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 7.9 mm-40 -59.37 -39.69 84.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 110.318 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.8 -5.84 40.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.561 1.163 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 11' ' ' GLU . 67.9 m-70 -114.67 48.0 1.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 0.0 109.563 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.23 65.37 0.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.44 ' H ' ' HG1' ' A' ' 21' ' ' THR . 1.3 t0 -159.8 153.49 22.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.337 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.403 ' O ' ' OG1' ' A' ' 33' ' ' THR . 66.7 p -42.09 -50.45 4.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.991 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.52 -61.17 1.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.43 ' O ' ' O ' ' A' ' 15' ' ' HIS . 0.2 OUTLIER -133.5 102.59 5.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.041 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.834 HG23 ' HB2' ' A' ' 50' ' ' ALA . 1.3 m -132.29 117.07 17.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 110.427 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.705 ' O ' HG13 ' A' ' 23' ' ' VAL . 1.5 m0 -116.82 -173.81 2.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 108.039 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.834 HG22 HD21 ' A' ' 32' ' ' LEU . 3.2 m -160.04 111.06 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 109.241 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.522 ' CG2' ' O ' ' A' ' 52' ' ' GLY . 0.0 OUTLIER -66.14 111.69 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 109.368 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.566 HD12 ' HB2' ' A' ' 26' ' ' HIS . 0.6 OUTLIER -143.24 150.89 39.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.566 ' HB2' HD12 ' A' ' 25' ' ' LEU . 15.3 m-70 52.98 29.41 7.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.644 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.635 ' O ' ' CD2' ' A' ' 27' ' ' HIS . 0.4 OUTLIER 70.15 6.62 5.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.587 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.555 ' O ' ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -135.3 119.65 17.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.142 . . . . 0.0 109.311 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.891 HG13 HG12 ' A' ' 76' ' ' ILE . 2.7 p -79.55 144.27 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.977 ' CZ ' HD11 ' A' ' 75' ' ' ILE . 4.3 m-85 -120.91 139.72 52.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 111.028 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.638 ' CB ' HG22 ' A' ' 76' ' ' ILE . 7.3 t70 -96.06 79.94 3.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.137 . . . . 0.0 109.354 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.834 HD21 HG22 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -89.68 26.04 1.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.287 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.45 ' HA ' ' CD1' ' A' ' 36' ' ' LEU . 0.6 OUTLIER -72.05 -20.92 61.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.102 . . . . 0.0 110.431 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.77 -53.58 4.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.416 1.073 . . . . 0.0 109.285 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.655 ' CG ' ' O ' ' A' ' 35' ' ' PHE . 0.0 OUTLIER -82.81 10.62 7.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 111.032 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.45 ' CD1' ' HA ' ' A' ' 33' ' ' THR . 0.2 OUTLIER -57.08 -39.14 74.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.83 -20.44 39.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.297 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -85.67 -2.28 58.03 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 110.318 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.604 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 26.5 t-80 -91.66 130.87 37.48 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.543 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.604 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.4 Cg_endo -74.91 -9.56 20.95 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.528 1.804 . . . . 0.0 111.017 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.599 ' HA3' ' CE1' ' A' ' 39' ' ' HIS . . . -61.06 -80.39 0.1 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.512 1.132 . . . . 0.0 111.015 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.471 ' HA3' ' CG1' ' A' ' 45' ' ' VAL . . . -174.1 -167.99 34.4 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.464 ' O ' ' CG ' ' A' ' 43' ' ' GLU . 11.3 tt0 -121.72 -9.64 8.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 0.743 . . . . 0.0 110.253 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.547 ' CG ' ' O ' ' A' ' 44' ' ' GLU . 4.2 tt0 -120.71 -2.41 9.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.209 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.471 ' CG1' ' HA3' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -99.83 -29.04 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.512 HD21 ' HD1' ' A' ' 39' ' ' HIS . 1.2 mt -77.1 -35.47 56.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 109.311 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.615 ' HB3' HG21 ' A' ' 21' ' ' THR . 7.2 ptm180 -87.53 -22.71 24.7 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.51 1.131 . . . . 0.0 110.392 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -53.28 -30.13 36.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.314 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.567 ' CB ' ' HB2' ' A' ' 54' ' ' ALA . 37.3 mm-40 -100.95 9.88 41.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 110.373 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.834 ' HB2' HG23 ' A' ' 21' ' ' THR . . . -78.6 57.91 2.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.04 -36.85 0.03 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.461 1.101 . . . . 0.0 110.979 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.522 ' O ' ' CG2' ' A' ' 24' ' ' ILE . . . -122.7 -124.89 3.01 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.67 122.33 47.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 0.753 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.567 ' HB2' ' CB ' ' A' ' 49' ' ' GLN . . . -91.55 -18.86 23.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.413 1.07 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.486 ' HA ' ' HB3' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -49.46 -48.85 47.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.435 179.939 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -48.53 -29.04 3.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.507 ' O ' ' HB3' ' A' ' 60' ' ' ASP . 1.9 m-20 -100.01 -48.23 4.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.659 ' CE1' ' C4B' ' A' ' 95' ' ' HEM . 18.2 t80 -56.8 -39.47 74.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.143 . . . . 0.0 110.959 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.485 ' HB2' ' O ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -82.02 -23.85 35.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.273 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.507 ' HB3' ' O ' ' A' ' 57' ' ' ASN . 10.4 t70 -56.95 -58.38 8.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.45 ' H ' HG12 ' A' ' 61' ' ' VAL . 0.4 OUTLIER -59.89 -17.18 12.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 65.87 79.06 0.2 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.493 1.121 . . . . 0.0 111.046 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.6 ' CE1' ' CD1' ' A' ' 58' ' ' PHE . 53.8 m80 -74.73 140.05 43.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.441 0.73 . . . . 0.0 109.698 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.51 164.05 10.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 0.0 109.977 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.3 t -73.72 -13.29 60.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.42 1.075 . . . . 0.0 110.407 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -87.2 0.57 55.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.41 HG22 HMB1 ' A' ' 95' ' ' HEM . 0.3 OUTLIER -70.07 -21.99 24.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.423 1.077 . . . . 0.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -63.39 -24.4 67.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.269 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -69.69 -30.44 68.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 67' ' ' VAL . 1.1 mm? -59.83 -72.6 0.1 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.407 1.067 . . . . 0.0 109.28 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 51.6 p -76.84 114.53 15.71 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.561 1.163 . . . . 0.0 109.923 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.95 -68.41 0.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.235 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.5 m -87.98 -23.11 23.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 110.391 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.414 ' O ' ' C ' ' A' ' 75' ' ' ILE . 18.5 m-85 -56.38 -37.28 69.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 111.008 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.977 HD11 ' CZ ' ' A' ' 30' ' ' TYR . 0.8 OUTLIER -38.64 140.21 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.891 HG12 HG13 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -99.53 -49.44 11.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 109.275 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.661 ' HA3' HG21 ' A' ' 4' ' ' VAL . . . 161.45 -111.15 0.47 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.507 1.129 . . . . 0.0 110.958 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -167.66 119.72 0.89 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 0.778 . . . . 0.0 110.269 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.931 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -59.99 157.63 12.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.328 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.771 ' HB2' HG22 ' A' ' 8' ' ' THR . 1.9 t-80 -35.99 136.97 0.49 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.469 1.106 . . . . 0.0 109.638 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -19.55 17.84 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.548 1.815 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -79.46 -39.23 32.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.92 -27.68 54.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.783 ' HB2' HD11 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -62.6 -33.48 75.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.314 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.3 t -89.7 -3.44 58.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.975 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 33.1 mttt -88.84 -30.35 19.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.413 1.071 . . . . 0.0 109.295 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.484 HD11 HD21 ' A' ' 9' ' ' LEU . 59.3 mt -65.19 -11.36 11.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 109.302 -180.0 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' HEM . . . . . 0.659 ' C4B' ' CE1' ' A' ' 58' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_