data_1ib7_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 1ib7 _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 ' 5' ' ' LYS . . . . . 0.474 ' HB3' ' CZ ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -100.59 113.52 26.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.474 ' CZ ' ' HB3' ' A' ' 5' ' ' LYS . 18.4 m-85 -102.79 148.99 24.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 110.978 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.401 ' C ' ' N ' ' A' ' 10' ' ' GLU . 0.4 OUTLIER -76.54 146.28 38.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.567 1.167 . . . . 0.0 110.359 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -53.47 -18.83 3.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.153 . . . . 0.0 109.331 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.401 ' N ' ' C ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -66.55 -31.04 71.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 110.334 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.514 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.1 OUTLIER -61.64 -75.75 0.07 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 110.257 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.514 ' C ' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -31.75 -44.87 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.241 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -55.0 -73.5 0.05 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.72 -22.35 5.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.365 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.451 ' CD2' ' CG ' ' A' ' 11' ' ' GLU . 74.0 m-70 -96.7 45.88 1.05 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.501 1.125 . . . . 0.0 109.6 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -109.98 24.3 13.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -119.38 169.3 10.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.27 -45.51 87.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.996 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -43.88 -52.84 6.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.2 m -135.69 95.92 3.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.015 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 m -98.61 112.45 24.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.102 . . . . 0.0 110.388 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.4 ' O ' ' C ' ' A' ' 50' ' ' ALA . 10.3 m0 -118.24 157.48 26.94 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.467 HG12 ' CD2' ' A' ' 32' ' ' LEU . 4.2 p -154.7 122.95 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.157 . . . . 0.0 109.248 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 16.9 mt -68.77 113.89 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 109.282 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.575 HD21 ' CD2' ' A' ' 30' ' ' TYR . 1.8 mp -124.87 118.48 26.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.55 ' O ' ' CG ' ' A' ' 27' ' ' HIS . 13.8 m80 39.9 61.44 1.47 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.604 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.55 ' CG ' ' O ' ' A' ' 26' ' ' HIS . 27.9 p80 50.66 51.21 17.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 109.695 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.96 113.2 0.48 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 109.227 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.421 ' CG2' HD11 ' A' ' 76' ' ' ILE . 10.8 m -71.27 141.94 16.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.596 ' CE2' ' HB2' ' A' ' 71' ' ' SER . 4.5 m-30 -116.84 109.99 17.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -79.52 77.04 6.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.467 ' CD2' HG12 ' A' ' 23' ' ' VAL . 0.6 OUTLIER -93.91 39.66 1.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.328 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 55.6 m -61.87 -49.62 75.53 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.416 1.073 . . . . 0.0 110.385 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.31 -41.71 84.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.531 ' HB2' ' CZ ' ' A' ' 74' ' ' TYR . 91.5 t80 -89.92 21.69 3.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 110.95 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.411 ' C ' ' CD1' ' A' ' 36' ' ' LEU . 1.9 tm? -74.98 -51.12 14.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -87.5 -9.23 55.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.301 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.03 -23.01 28.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.346 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.595 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 5.1 t-160 -49.91 126.55 19.44 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.568 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.595 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.0 Cg_endo -75.08 -28.83 8.71 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.555 1.819 . . . . 0.0 110.981 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.55 -68.31 1.7 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.48 1.112 . . . . 0.0 110.969 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.09 148.38 9.95 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -85.77 -18.44 32.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.781 . . . . 0.0 110.305 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 48' ' ' GLU . 7.7 tt0 -85.28 -54.1 4.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.415 1.072 . . . . 0.0 110.311 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 44' ' ' GLU . 0.2 OUTLIER -40.17 -28.84 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.09 . . . . 0.0 109.322 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.46 ' N ' ' C ' ' A' ' 44' ' ' GLU . 0.9 OUTLIER -85.09 -61.52 1.75 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.456 ' O ' ' C ' ' A' ' 48' ' ' GLU . 22.9 mtm180 -57.13 -56.7 18.38 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.544 1.152 . . . . 0.0 110.312 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 44' ' ' GLU . 3.2 tp10 -34.17 -45.09 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.314 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 22.2 pt20 -129.64 48.12 2.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 0.0 110.272 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 22' ' ' TRP . . . -70.13 -92.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.352 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 52' ' ' GLY . . . -41.84 -32.94 1.02 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.535 1.147 . . . . 0.0 110.97 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 51' ' ' GLY . . . -59.51 -141.43 0.01 OUTLIER Glycine 0 CA--C 1.529 0.944 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -129.55 111.13 12.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 0.731 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 58' ' ' PHE . . . -112.79 19.33 17.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.0 m -50.51 -61.35 2.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 110.471 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.413 ' HA ' ' CG ' ' A' ' 59' ' ' GLU . 14.3 mt-10 -66.1 -40.53 90.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 110.325 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -65.99 -13.28 59.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.794 ' CD1' ' CE1' ' A' ' 63' ' ' HIS . 75.1 t80 -99.91 -40.3 7.74 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.612 1.195 . . . . 0.0 110.97 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.413 ' CG ' ' HA ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -81.38 -30.39 33.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 110.243 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.412 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 49.0 t0 -60.39 -44.08 96.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.478 ' CG2' ' CE1' ' A' ' 63' ' ' HIS . 9.1 m -67.3 -17.56 22.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 109.259 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 62.22 84.13 0.06 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.499 1.124 . . . . 0.0 111.044 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.794 ' CE1' ' CD1' ' A' ' 58' ' ' PHE . 35.3 m80 -71.47 140.13 49.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 0.786 . . . . 0.0 109.574 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.26 170.03 15.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.426 1.079 . . . . 0.0 109.997 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -50.3 -46.79 55.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.362 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -41.09 -40.6 1.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.25 -46.72 66.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.339 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 65' ' ' THR . 4.5 ttp180 -42.52 -45.25 4.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 110.338 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.22 -50.55 67.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.472 1.108 . . . . 0.0 110.301 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 73' ' ' THR . 1.1 mp -61.07 -66.51 0.52 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.596 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 5.3 p -33.93 -55.51 0.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.005 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.22 -51.09 71.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.357 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -59.18 -29.98 67.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.373 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.531 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 40.9 m-85 -100.05 39.74 1.31 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.957 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 4.6 tt -113.83 139.89 37.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 109.342 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.476 HG12 ' N ' ' A' ' 77' ' ' GLY . 0.2 OUTLIER -124.64 -37.21 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 109.339 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.476 ' N ' HG12 ' A' ' 76' ' ' ILE . . . 169.69 -175.82 43.74 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.549 1.156 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -109.08 170.07 8.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 0.777 . . . . 0.0 110.304 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.459 HD23 ' N ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -104.91 152.16 22.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.256 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.459 ' N ' HD23 ' A' ' 79' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.598 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.481 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -99.29 124.23 44.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.603 1.19 . . . . 0.0 111.034 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.481 ' CE1' ' HB3' ' A' ' 5' ' ' LYS . 13.5 m-85 -111.5 146.34 37.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.387 1.054 . . . . 0.0 111.008 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.413 ' C ' ' N ' ' A' ' 10' ' ' GLU . 1.7 p -73.76 145.94 44.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 110.39 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.407 ' O ' HG12 ' A' ' 12' ' ' ILE . 1.4 pt? -52.75 -18.87 2.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.413 ' N ' ' C ' ' A' ' 8' ' ' THR . 1.1 mt-10 -63.56 -33.72 76.23 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.46 1.1 . . . . 0.0 110.27 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.493 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -61.61 -74.61 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 110.236 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.493 ' C ' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -33.61 -40.7 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.432 ' C ' ' N ' ' A' ' 15' ' ' HIS . 5.7 mm-40 -61.8 -82.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.315 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.426 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -41.76 -29.29 0.19 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.447 ' C ' ' O ' ' A' ' 20' ' ' SER . 85.2 m-70 -91.29 48.31 1.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 109.603 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.6 pttt -110.2 30.71 6.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.363 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 20' ' ' SER . 0.1 OUTLIER -129.32 163.69 25.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.85 -53.98 17.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.033 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.19 -45.31 8.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 15' ' ' HIS . 23.6 p -137.41 99.21 3.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.034 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -114.31 109.82 18.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.454 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.42 ' O ' ' C ' ' A' ' 50' ' ' ALA . 10.2 m0 -115.96 162.12 17.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 107.999 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.5 p -158.66 121.84 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 109.331 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 8.2 mt -68.91 108.58 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.564 1.165 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.576 HD22 ' CE2' ' A' ' 30' ' ' TYR . 0.6 OUTLIER -117.11 120.76 39.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.405 ' HE1' ' CE1' ' A' ' 58' ' ' PHE . 0.7 OUTLIER 39.73 53.74 2.52 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.428 1.08 . . . . 0.0 109.569 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 56.7 51.91 10.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.588 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -169.95 106.33 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.108 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.434 ' CG2' HD11 ' A' ' 76' ' ' ILE . 6.2 m -62.9 141.6 17.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.564 1.165 . . . . 0.0 109.338 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.608 ' CE2' ' HB3' ' A' ' 71' ' ' SER . 3.6 m-30 -117.14 108.82 16.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.918 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.408 ' HA ' ' CD1' ' A' ' 22' ' ' TRP . 23.9 t0 -78.21 78.25 4.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 36' ' ' LEU . 0.5 OUTLIER -95.34 36.29 1.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.252 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 54.3 m -56.86 -52.26 65.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.465 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.89 -41.14 91.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.54 ' HB2' ' CZ ' ' A' ' 74' ' ' TYR . 85.7 t80 -89.33 19.46 4.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.9 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 32' ' ' LEU . 2.5 tm? -75.84 -48.32 22.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 0.0 109.332 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -90.06 -9.84 46.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 110.301 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.15 -23.11 28.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.326 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.602 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 5.0 t-160 -50.08 126.88 20.91 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.44 1.088 . . . . 0.0 109.598 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.602 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.2 Cg_endo -75.0 -26.55 10.8 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.484 1.781 . . . . 0.0 110.984 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.84 -68.47 1.64 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.495 1.122 . . . . 0.0 111.088 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.1 145.03 7.89 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.4 -7.47 59.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 0.746 . . . . 0.0 110.293 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.463 ' C ' ' N ' ' A' ' 46' ' ' LEU . 34.9 tt0 -97.22 -52.9 3.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 110.242 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 44' ' ' GLU . 0.2 OUTLIER -40.24 -28.42 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.463 ' N ' ' C ' ' A' ' 44' ' ' GLU . 0.3 OUTLIER -87.03 -49.72 7.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.335 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.464 ' O ' ' C ' ' A' ' 48' ' ' GLU . 5.0 mtp-105 -65.25 -60.06 3.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.591 1.182 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.464 ' C ' ' O ' ' A' ' 47' ' ' ARG . 28.6 tt0 -33.42 -45.09 0.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.122 . . . . 0.0 110.271 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -129.14 47.78 2.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.321 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.449 ' CA ' ' O ' ' A' ' 46' ' ' LEU . . . -71.99 -90.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -40.78 -33.12 0.58 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.458 1.099 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.31 -137.01 0.01 OUTLIER Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -136.17 115.02 12.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 0.793 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 58' ' ' PHE . . . -112.03 25.68 11.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.44 1.087 . . . . 0.0 109.225 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 28.5 m -50.43 -72.1 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 110.439 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 60' ' ' ASP . 18.4 mt-10 -59.44 -36.23 75.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 110.318 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -63.33 -23.68 67.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 109.321 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.516 ' CD2' HD23 ' A' ' 25' ' ' LEU . 0.5 OUTLIER -91.94 -39.83 11.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 111.03 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -77.52 -30.99 53.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.286 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 56' ' ' GLU . 56.7 t0 -62.7 -43.85 97.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.652 1.22 . . . . 0.0 109.22 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.475 ' CG2' ' CE1' ' A' ' 63' ' ' HIS . 5.4 m -70.0 -17.21 20.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 59.27 84.8 0.04 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.457 1.098 . . . . 0.0 110.979 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.475 ' CE1' ' CG2' ' A' ' 61' ' ' VAL . 36.4 m80 -69.94 140.01 52.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 0.76 . . . . 0.0 109.612 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.57 170.0 16.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.03 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -51.49 -46.53 63.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.377 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -41.94 -41.14 2.39 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.56 1.163 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.3 -46.2 74.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 65' ' ' THR . 3.7 ttt180 -43.07 -40.87 3.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.37 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -69.32 -53.33 20.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 110.366 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.475 ' O ' ' C ' ' A' ' 71' ' ' SER . 0.8 OUTLIER -57.23 -65.83 0.56 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.258 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.608 ' HB3' ' CE2' ' A' ' 30' ' ' TYR . 58.8 m -32.74 -58.51 0.35 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 110.005 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.4 -51.56 67.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.457 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.7 OUTLIER -57.69 -31.36 66.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.407 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.54 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 45.0 m-85 -100.04 41.61 1.15 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.425 1.078 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 6.6 tt -116.06 139.93 40.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.475 HG12 ' N ' ' A' ' 77' ' ' GLY . 0.2 OUTLIER -123.3 -38.83 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.475 ' N ' HG12 ' A' ' 76' ' ' ILE . . . 173.6 -162.38 33.3 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.482 1.114 . . . . 0.0 111.038 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -119.84 170.07 9.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 0.774 . . . . 0.0 110.351 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.479 ' CD2' ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -98.7 144.54 27.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.479 ' O ' ' CD2' ' A' ' 79' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.583 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.464 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -100.56 111.82 24.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.085 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.464 ' CE1' ' HB3' ' A' ' 5' ' ' LYS . 20.3 m-85 -100.02 149.71 23.19 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.563 1.165 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.1 p -79.13 151.47 31.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 110.445 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.413 HD22 ' N ' ' A' ' 10' ' ' GLU . 1.5 pt? -55.7 -18.29 7.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.413 ' N ' HD22 ' A' ' 9' ' ' LEU . 2.1 mm-40 -65.48 -34.35 78.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.459 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -61.71 -72.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.378 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.459 ' C ' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -36.0 -42.06 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 0.0 109.291 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.408 ' C ' ' N ' ' A' ' 15' ' ' HIS . 2.2 mm-40 -59.4 -78.84 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.399 1.062 . . . . 0.0 110.299 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.411 ' HE3' ' NE2' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -46.42 -26.4 0.84 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 0.0 109.253 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.415 ' NE2' ' HG3' ' A' ' 11' ' ' GLU . 81.1 m-70 -93.55 43.67 1.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.586 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -108.23 23.59 14.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.329 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -119.72 169.35 10.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.08 -49.09 76.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.017 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 20' ' ' SER . 3.4 ptpt -43.14 -46.63 5.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.405 ' N ' ' HG3' ' A' ' 19' ' ' LYS . 25.9 m -139.88 98.55 3.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.059 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.9 m -103.42 110.26 22.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.415 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 8.6 m0 -115.67 158.08 23.29 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.43 ' CG1' ' HB2' ' A' ' 30' ' ' TYR . 8.6 p -157.26 121.19 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 8.0 mt -68.43 106.32 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.253 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.603 ' CD2' ' CD2' ' A' ' 30' ' ' TYR . 0.5 OUTLIER -117.44 122.29 43.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.417 ' C ' ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER 38.99 55.57 2.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.566 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.5 m80 52.86 51.89 15.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.622 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt -168.91 99.32 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.283 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.486 ' CG1' ' HB3' ' A' ' 79' ' ' LEU . 11.5 m -56.53 140.3 14.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.605 ' CE2' ' HB3' ' A' ' 71' ' ' SER . 4.8 m-30 -115.91 107.71 15.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 111.031 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -77.22 74.75 3.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.406 1.066 . . . . 0.0 109.294 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -92.71 44.95 1.17 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.528 1.142 . . . . 0.0 109.243 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 92.8 m -66.05 -49.43 67.71 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 0.0 110.377 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.05 -36.01 72.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.56 ' HB2' ' CZ ' ' A' ' 74' ' ' TYR . 80.4 t80 -89.71 14.81 10.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 111.019 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -71.59 -45.61 61.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -90.06 -9.29 49.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.1 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.84 -24.91 28.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 110.283 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.484 ' CB ' HD12 ' A' ' 46' ' ' LEU . 5.1 t-160 -50.88 123.5 18.75 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.639 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.453 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.4 Cg_endo -75.02 -30.71 6.84 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.447 1.762 . . . . 0.0 111.026 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.01 -65.57 3.04 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.524 1.14 . . . . 0.0 111.034 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.1 145.31 8.05 Favored Glycine 0 CA--C 1.529 0.946 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -86.95 -7.63 57.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 0.732 . . . . 0.0 110.264 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' A' ' 48' ' ' GLU . 1.2 tp10 -98.19 -53.78 3.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.407 ' C ' ' O ' ' A' ' 44' ' ' GLU . 0.2 OUTLIER -40.04 -28.72 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.484 HD12 ' CB ' ' A' ' 39' ' ' HIS . 1.2 mt -80.87 -58.22 3.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.429 ' O ' ' C ' ' A' ' 48' ' ' GLU . 57.2 mtm180 -62.39 -50.32 72.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.224 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 44' ' ' GLU . 7.3 pt-20 -35.97 -36.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 110.335 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.583 HE22 ' ND2' ' A' ' 57' ' ' ASN . 13.3 pt20 -143.24 45.84 1.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.434 1.084 . . . . 0.0 110.319 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.48 -87.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.402 ' O ' ' HB ' ' A' ' 12' ' ' ILE . . . -44.49 -30.73 2.19 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.46 1.1 . . . . 0.0 110.982 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.36 -137.21 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -134.16 111.46 10.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 0.785 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -111.12 23.29 14.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.354 1.034 . . . . 0.0 109.315 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 17.5 m -50.76 -69.96 0.1 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 110.408 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.402 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 23.5 mt-10 -62.18 -38.83 90.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.412 1.07 . . . . 0.0 110.24 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.583 ' ND2' HE22 ' A' ' 49' ' ' GLN . 8.6 m-80 -61.59 -20.32 63.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.521 ' CD2' HD23 ' A' ' 25' ' ' LEU . 0.6 OUTLIER -95.33 -40.2 9.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -77.3 -34.64 55.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.402 ' HB2' ' O ' ' A' ' 56' ' ' GLU . 12.0 t70 -59.09 -42.14 89.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.479 ' CG2' ' CE1' ' A' ' 63' ' ' HIS . 5.0 m -70.97 -16.41 19.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 57.8 85.27 0.03 OUTLIER Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.549 1.155 . . . . 0.0 111.029 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.479 ' CE1' ' CG2' ' A' ' 61' ' ' VAL . 34.7 m80 -69.98 140.04 52.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.433 0.725 . . . . 0.0 109.598 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.7 m -81.55 170.14 16.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.002 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -50.95 -46.3 60.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 110.431 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -41.04 -41.36 1.67 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.39 -46.51 66.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.256 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 65' ' ' THR . 3.2 ttt85 -39.21 -45.89 1.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.316 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -66.84 -54.99 16.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 110.266 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.467 ' O ' ' C ' ' A' ' 71' ' ' SER . 0.8 OUTLIER -55.32 -66.85 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.276 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.605 ' HB3' ' CE2' ' A' ' 30' ' ' TYR . 74.0 m -33.12 -58.0 0.38 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 109.986 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.26 -50.15 74.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.46 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -57.66 -31.35 66.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.44 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.56 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 44.0 m-85 -100.0 37.94 1.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 111.075 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -112.15 139.85 34.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.35 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.496 HG12 ' N ' ' A' ' 77' ' ' GLY . 0.2 OUTLIER -123.15 -38.01 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.496 ' N ' HG12 ' A' ' 76' ' ' ILE . . . 174.69 -159.76 28.64 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.553 1.158 . . . . 0.0 110.991 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -122.68 170.13 10.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 0.784 . . . . 0.0 110.244 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.562 ' O ' ' CD1' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -105.97 150.86 25.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.518 ' N ' HD23 ' A' ' 79' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.622 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.523 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -100.98 109.21 21.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.967 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.523 ' CE1' ' HB3' ' A' ' 5' ' ' LYS . 15.9 m-85 -97.4 151.51 19.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 111.065 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.9 p -83.9 149.13 26.54 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.535 1.147 . . . . 0.0 110.363 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -53.55 -18.99 3.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.15 -38.13 89.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.311 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.47 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -58.63 -73.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 110.323 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.47 ' C ' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -35.3 -44.67 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.359 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.415 ' C ' ' N ' ' A' ' 15' ' ' HIS . 12.9 mm-40 -55.96 -78.97 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 110.335 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.402 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -47.55 -24.42 0.86 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.563 1.165 . . . . 0.0 109.197 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.415 ' N ' ' C ' ' A' ' 13' ' ' GLN . 82.3 m-70 -94.13 43.8 1.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.641 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.6 ttpp -110.16 32.94 4.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -129.82 161.71 30.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.167 . . . . 0.0 109.316 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 19' ' ' LYS . 0.5 OUTLIER -47.35 -50.23 22.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.948 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 18' ' ' SER . 11.8 mptt -39.42 -58.82 1.17 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.8 m -135.83 96.49 3.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.013 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.4 m -102.29 109.87 21.66 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 110.383 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.409 ' O ' ' C ' ' A' ' 50' ' ' ALA . 11.0 m0 -109.05 162.39 14.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 107.962 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.484 ' CG1' ' HB2' ' A' ' 30' ' ' TYR . 14.7 p -154.0 119.74 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.466 HG22 ' CD1' ' A' ' 79' ' ' LEU . 23.4 mt -69.54 113.39 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.571 HD21 ' CD2' ' A' ' 30' ' ' TYR . 1.6 mp -122.18 115.73 22.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.4 ' C ' ' O ' ' A' ' 25' ' ' LEU . 7.6 p-80 38.83 60.31 1.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.622 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 64.5 m80 53.48 52.65 12.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.595 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.1 mttp -169.56 107.07 0.39 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.397 1.061 . . . . 0.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.456 HG22 ' CD1' ' A' ' 76' ' ' ILE . 10.2 m -69.1 140.37 18.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.575 1.172 . . . . 0.0 109.3 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.593 ' CE2' ' HB3' ' A' ' 71' ' ' SER . 4.5 m-30 -116.81 107.84 15.12 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.49 1.119 . . . . 0.0 110.984 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -76.27 73.29 3.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -90.81 38.51 0.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 92.2 m -60.2 -54.99 39.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.378 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.52 -43.6 98.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.588 ' CD2' ' O ' ' A' ' 35' ' ' TYR . 88.0 t80 -90.05 27.14 1.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 111.0 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -80.33 -49.11 11.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -89.95 -9.38 49.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.6 -21.26 28.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.338 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.569 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 5.5 t-160 -50.02 125.17 18.03 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 0.0 109.607 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.569 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.3 Cg_endo -74.94 -28.59 9.16 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.437 1.756 . . . . 0.0 111.081 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.46 -66.76 2.22 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.461 1.101 . . . . 0.0 111.066 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -173.99 146.54 8.79 Favored Glycine 0 CA--C 1.531 1.062 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -85.89 -29.91 23.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 0.766 . . . . 0.0 110.29 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.527 ' O ' ' N ' ' A' ' 48' ' ' GLU . 0.4 OUTLIER -73.75 -54.99 6.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.234 -179.911 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -39.86 -29.45 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.475 HD12 ' CB ' ' A' ' 39' ' ' HIS . 2.0 mt -84.14 -63.54 1.33 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.465 ' O ' ' C ' ' A' ' 48' ' ' GLU . 1.1 mtm105 -57.2 -56.58 20.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.328 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.527 ' N ' ' O ' ' A' ' 44' ' ' GLU . 17.5 tp10 -33.27 -45.53 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.583 HE22 ' ND2' ' A' ' 57' ' ' ASN . 24.9 pt20 -130.73 47.4 2.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.32 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 46' ' ' LEU . . . -68.5 -89.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.442 ' O ' ' HB ' ' A' ' 12' ' ' ILE . . . -42.61 -32.13 1.23 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.553 1.158 . . . . 0.0 111.023 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 51' ' ' GLY . . . -60.16 -137.54 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -136.89 109.91 7.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 0.757 . . . . 0.0 109.356 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -112.58 27.33 9.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.3 m -55.17 -59.05 5.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.361 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -66.33 -41.37 89.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 110.263 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.583 ' ND2' HE22 ' A' ' 49' ' ' GLN . 1.7 m120 -64.92 -14.33 59.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.813 ' CD1' ' CE1' ' A' ' 63' ' ' HIS . 78.0 t80 -98.57 -39.99 8.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 110.987 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -80.53 -34.98 35.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -57.42 -43.69 84.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.361 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.493 ' CG2' ' CE1' ' A' ' 63' ' ' HIS . 9.5 m -67.22 -17.58 22.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.517 1.135 . . . . 0.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 61.31 84.02 0.06 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.538 1.149 . . . . 0.0 111.022 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.813 ' CE1' ' CD1' ' A' ' 58' ' ' PHE . 31.6 m80 -70.89 140.0 50.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 0.772 . . . . 0.0 109.668 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.0 p -80.63 170.04 16.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.973 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -52.15 -43.44 64.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.393 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -43.71 -41.13 4.63 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.531 1.145 . . . . 0.0 109.253 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.71 -46.72 71.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.123 . . . . 0.0 109.327 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.12 -46.88 3.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.263 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.11 -54.41 38.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 110.298 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.465 ' O ' ' C ' ' A' ' 71' ' ' SER . 1.2 mp -56.34 -66.2 0.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.593 ' HB3' ' CE2' ' A' ' 30' ' ' TYR . 58.8 m -33.65 -57.93 0.43 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.962 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.401 ' O ' ' CG2' ' A' ' 75' ' ' ILE . 1.9 tttt -56.28 -51.0 69.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.1 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -58.76 -30.56 67.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.378 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.543 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 40.2 m-85 -100.06 39.55 1.33 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.512 1.132 . . . . 0.0 111.028 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.401 ' CG2' ' O ' ' A' ' 72' ' ' LYS . 6.1 tt -114.69 140.0 37.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.456 ' CD1' HG22 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -123.1 -37.82 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 109.356 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.446 ' N ' HG12 ' A' ' 76' ' ' ILE . . . 175.68 -167.98 40.1 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.548 1.155 . . . . 0.0 110.967 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -116.22 169.92 8.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 0.749 . . . . 0.0 110.347 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.466 ' CD1' HG22 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -102.49 150.15 23.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.555 1.159 . . . . 0.0 109.31 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.448 ' O ' HD23 ' A' ' 79' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.612 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -100.96 113.82 27.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 111.068 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -101.57 160.0 14.81 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.524 1.14 . . . . 0.0 110.982 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.435 ' C ' ' N ' ' A' ' 10' ' ' GLU . 1.5 p -89.71 140.27 29.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.383 1.052 . . . . 0.0 110.401 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.414 ' O ' HG12 ' A' ' 12' ' ' ILE . 1.3 pt? -47.23 -22.54 0.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.245 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.435 ' N ' ' C ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -63.2 -31.68 72.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.496 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.6 OUTLIER -62.45 -75.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.281 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.496 ' C ' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -33.31 -40.28 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.326 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 11' ' ' GLU . 5.1 mm100 -59.85 -70.42 0.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.345 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -54.12 -29.97 46.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.363 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.426 ' NE2' ' HG3' ' A' ' 11' ' ' GLU . 75.4 m-70 -89.76 46.98 1.41 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.135 . . . . 0.0 109.565 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -109.63 20.23 18.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -116.5 169.77 9.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.85 -49.73 75.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.967 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.37 -45.73 9.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 42.1 m -138.07 96.59 3.23 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.54 1.15 . . . . 0.0 110.081 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.4 m -103.17 110.0 21.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 110.369 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 11.1 m0 -116.79 157.53 25.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 107.974 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.401 HG12 ' CD2' ' A' ' 32' ' ' LEU . 3.9 p -156.09 122.77 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.249 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.469 HG22 ' CD1' ' A' ' 79' ' ' LEU . 40.4 mt -69.01 114.54 6.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.577 HD21 ' CD2' ' A' ' 30' ' ' TYR . 1.1 mp -123.65 115.89 22.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.406 ' HE1' ' CE1' ' A' ' 58' ' ' PHE . 0.2 OUTLIER 40.03 55.63 2.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 109.596 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 56.93 53.06 8.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.526 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -170.04 106.2 0.33 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.582 1.176 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.438 ' CG1' ' HB3' ' A' ' 79' ' ' LEU . 10.0 m -66.69 139.54 20.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.601 ' CE2' ' HB2' ' A' ' 71' ' ' SER . 4.7 m-30 -116.57 108.58 16.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 110.992 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -79.63 77.44 6.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.424 ' CD1' HD11 ' A' ' 46' ' ' LEU . 0.6 OUTLIER -92.54 40.15 1.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.122 . . . . 0.0 109.264 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 60.3 m -59.08 -51.15 71.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.11 . . . . 0.0 110.426 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.35 -40.37 81.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.371 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.568 ' CD2' ' O ' ' A' ' 35' ' ' TYR . 82.1 t80 -90.07 24.4 2.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.575 1.172 . . . . 0.0 110.995 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -80.65 -49.08 11.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.234 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -89.93 -7.95 52.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.222 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -87.09 -23.36 24.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.586 1.179 . . . . 0.0 110.336 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.595 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 5.2 t-160 -49.92 126.43 19.36 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 109.585 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.595 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.3 Cg_endo -75.03 -29.81 7.78 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.465 1.771 . . . . 0.0 110.958 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.13 -67.77 1.91 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.535 1.147 . . . . 0.0 110.949 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.07 149.91 11.22 Favored Glycine 0 CA--C 1.531 1.077 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -87.72 -22.8 24.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 0.797 . . . . 0.0 110.255 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 48' ' ' GLU . 2.1 mt-10 -81.35 -54.46 5.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.265 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.404 ' C ' ' O ' ' A' ' 44' ' ' GLU . 0.2 OUTLIER -39.98 -29.18 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.455 ' N ' ' C ' ' A' ' 44' ' ' GLU . 1.3 mt -84.53 -60.73 1.98 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.469 ' O ' ' C ' ' A' ' 48' ' ' GLU . 23.9 mtm105 -58.62 -57.35 13.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.344 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 44' ' ' GLU . 23.7 tt0 -32.96 -45.3 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.336 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -130.56 49.77 2.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.439 1.087 . . . . 0.0 110.247 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.74 -91.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 109.293 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.421 ' O ' ' HB ' ' A' ' 12' ' ' ILE . . . -40.11 -34.15 0.55 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.456 1.097 . . . . 0.0 110.937 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 51' ' ' GLY . . . -59.35 -143.67 0.01 OUTLIER Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -126.91 114.3 17.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 0.784 . . . . 0.0 109.252 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -115.93 25.28 10.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.7 m -57.9 -62.44 1.81 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.372 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -62.67 -39.32 93.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.59 1.181 . . . . 0.0 110.353 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -64.42 -22.65 67.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.557 ' CD2' HD23 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -88.69 -40.04 13.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 111.034 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -78.4 -35.97 46.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 110.256 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -56.25 -44.68 79.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.495 ' CG2' ' CE1' ' A' ' 63' ' ' HIS . 5.9 m -69.23 -17.48 21.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 61.59 83.4 0.07 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.486 1.116 . . . . 0.0 110.958 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.495 ' CE1' ' CG2' ' A' ' 61' ' ' VAL . 38.1 m80 -71.28 140.02 50.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 0.751 . . . . 0.0 109.583 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 38.5 m -85.79 169.94 12.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.422 1.076 . . . . 0.0 109.98 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.478 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.1 m -48.13 -48.01 34.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 110.443 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.1 -38.32 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.2 -46.32 42.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 65' ' ' THR . 3.7 mtt-85 -46.28 -37.07 6.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 110.308 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -71.68 -54.51 10.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.16 . . . . 0.0 110.319 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.528 ' O ' ' N ' ' A' ' 73' ' ' THR . 0.4 OUTLIER -57.57 -62.53 1.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.344 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.601 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 3.2 p -39.31 -55.48 1.71 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 0.0 109.965 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.506 ' O ' ' CG2' ' A' ' 75' ' ' ILE . 0.3 OUTLIER -59.43 -36.28 75.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.385 1.053 . . . . 0.0 109.265 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.528 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -72.97 -29.79 63.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.383 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.534 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 36.3 m-85 -100.19 37.86 1.59 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 110.98 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.506 ' CG2' ' O ' ' A' ' 72' ' ' LYS . 8.4 tp -107.83 139.82 28.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.445 1.091 . . . . 0.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.438 HG12 ' N ' ' A' ' 77' ' ' GLY . 0.2 OUTLIER -124.57 -33.86 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.09 . . . . 0.0 109.294 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.438 ' N ' HG12 ' A' ' 76' ' ' ILE . . . 170.51 -167.72 40.84 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -117.17 170.02 8.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 0.761 . . . . 0.0 110.228 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.469 ' CD1' HG22 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -101.57 148.99 24.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.351 179.931 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.462 ' O ' ' CD2' ' A' ' 79' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.596 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -100.98 118.94 37.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -107.35 160.08 15.89 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.425 1.078 . . . . 0.0 110.952 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.9 p -90.47 146.33 24.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 110.428 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -51.42 -20.42 1.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -64.2 -34.6 78.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.575 1.172 . . . . 0.0 110.32 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.485 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.1 OUTLIER -60.09 -75.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 110.342 179.928 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.485 ' C ' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -34.28 -44.61 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.42 1.075 . . . . 0.0 109.242 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -54.6 -63.49 1.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.108 . . . . 0.0 110.27 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.3 ptpm? -63.01 -24.37 67.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.273 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.423 ' C ' ' O ' ' A' ' 20' ' ' SER . 57.1 m-70 -94.62 44.38 1.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 109.643 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.83 28.92 8.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -129.4 169.81 14.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.447 ' O ' ' CG2' ' A' ' 33' ' ' THR . 1.0 OUTLIER -55.19 -49.53 71.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.477 1.11 . . . . 0.0 110.04 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.404 ' O ' ' CG2' ' A' ' 33' ' ' THR . 5.4 ttmt -42.63 -54.51 3.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 15' ' ' HIS . 4.7 m -133.1 90.39 2.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.013 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.6 m -96.39 111.38 23.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.427 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.402 ' O ' ' C ' ' A' ' 50' ' ' ALA . 10.6 m0 -118.75 159.45 23.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 108.039 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.432 ' CG1' ' HB2' ' A' ' 30' ' ' TYR . 8.2 p -154.98 121.72 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 24.3 mt -70.92 110.54 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.578 HD21 ' CD2' ' A' ' 30' ' ' TYR . 1.1 mp -118.49 124.93 48.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.526 ' CE1' ' HB3' ' A' ' 25' ' ' LEU . 0.0 OUTLIER 39.67 43.83 1.17 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 109.565 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.4 m80 67.04 49.61 1.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 109.559 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.493 ' HG2' ' CB ' ' A' ' 78' ' ' GLU . 4.2 mtmm -166.03 115.71 0.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.465 HG22 ' CD1' ' A' ' 76' ' ' ILE . 11.3 m -69.19 141.05 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.258 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.619 ' CE2' ' HB3' ' A' ' 71' ' ' SER . 3.3 m-30 -117.87 107.58 14.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 111.031 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.425 ' OD1' ' OG1' ' A' ' 33' ' ' THR . 63.8 t0 -76.49 82.61 3.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 36' ' ' LEU . 0.9 OUTLIER -101.38 36.49 2.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.28 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.447 ' CG2' ' O ' ' A' ' 18' ' ' SER . 16.4 m -60.0 -42.5 94.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 110.385 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.5 ttmm -74.11 -40.73 62.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.545 ' HB2' ' CZ ' ' A' ' 74' ' ' TYR . 91.9 t80 -89.97 17.59 6.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.62 1.2 . . . . 0.0 110.972 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 32' ' ' LEU . 1.8 tm? -71.86 -48.31 46.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.36 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -90.0 -7.58 53.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.321 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -86.76 -23.87 25.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.23 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.59 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 5.0 t-160 -49.93 126.48 19.44 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 109.62 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.59 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.2 Cg_endo -75.01 -28.3 9.26 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.507 1.793 . . . . 0.0 110.948 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.48 -68.76 1.55 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.456 1.097 . . . . 0.0 110.986 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.05 148.34 9.94 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.58 -17.77 35.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.547 0.792 . . . . 0.0 110.302 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' A' ' 48' ' ' GLU . 5.4 tt0 -86.09 -53.8 4.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.367 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.404 ' C ' ' O ' ' A' ' 44' ' ' GLU . 0.2 OUTLIER -40.28 -28.9 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.457 ' N ' ' C ' ' A' ' 44' ' ' GLU . 0.8 OUTLIER -85.1 -61.81 1.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 48' ' ' GLU . 24.0 mtm180 -56.12 -57.13 13.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 110.288 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 44' ' ' GLU . 2.9 tp10 -34.67 -44.66 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 110.254 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -131.47 54.04 1.95 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.429 1.081 . . . . 0.0 110.294 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 22' ' ' TRP . . . -77.39 -90.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.405 ' O ' ' HB ' ' A' ' 12' ' ' ILE . . . -40.18 -33.71 0.52 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.465 1.103 . . . . 0.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.49 -138.83 0.01 OUTLIER Glycine 0 CA--C 1.529 0.932 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -132.36 113.83 13.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.423 0.72 . . . . 0.0 109.339 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -115.17 24.59 11.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.42 1.075 . . . . 0.0 109.291 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.6 m -54.71 -61.4 2.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.435 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -63.9 -40.71 97.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.256 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -63.86 -17.91 63.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.567 ' CD2' HD23 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -94.86 -40.02 9.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 110.965 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -78.65 -36.37 43.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.256 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -57.37 -44.01 84.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.473 ' CG2' ' CE1' ' A' ' 63' ' ' HIS . 6.1 m -69.01 -16.3 20.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 59.03 84.97 0.04 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.481 1.113 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.473 ' CE1' ' CG2' ' A' ' 61' ' ' VAL . 29.3 m80 -70.15 139.98 52.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 0.777 . . . . 0.0 109.542 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 m -82.15 169.95 16.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.955 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -50.74 -46.57 59.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.408 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -41.62 -38.64 1.42 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.435 1.085 . . . . 0.0 109.244 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.68 -46.65 62.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.448 1.093 . . . . 0.0 109.325 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 65' ' ' THR . 0.0 OUTLIER -42.4 -42.96 3.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.443 1.089 . . . . 0.0 110.323 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.88 -53.89 23.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.422 1.076 . . . . 0.0 110.289 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.48 ' O ' ' C ' ' A' ' 71' ' ' SER . 1.2 mp -56.94 -65.37 0.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.348 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.619 ' HB3' ' CE2' ' A' ' 30' ' ' TYR . 53.3 m -32.36 -58.97 0.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.004 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.86 -50.78 71.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.475 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -56.9 -32.99 66.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.392 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.545 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 50.2 m-85 -99.47 40.65 1.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.157 . . . . 0.0 111.001 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 3.2 tt -115.43 139.92 39.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.365 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.465 ' CD1' HG22 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -121.25 -38.26 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.457 ' N ' HG12 ' A' ' 76' ' ' ILE . . . 176.64 -162.82 31.53 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.461 1.101 . . . . 0.0 110.93 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.493 ' CB ' ' HG2' ' A' ' 28' ' ' LYS . 6.1 pt-20 -119.73 162.44 19.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 0.728 . . . . 0.0 110.406 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.582 ' O ' ' CD1' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -94.83 144.22 25.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.51 ' N ' HD23 ' A' ' 79' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.117 . . . . 0.0 109.616 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.575 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -100.92 104.93 16.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 111.026 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.575 ' CE1' ' HB3' ' A' ' 5' ' ' LYS . 14.5 m-85 -91.36 149.67 21.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.574 1.171 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.409 ' C ' ' N ' ' A' ' 10' ' ' GLU . 1.2 p -79.78 142.22 35.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.376 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.415 ' O ' HG12 ' A' ' 12' ' ' ILE . 1.3 pt? -50.07 -20.35 0.95 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.226 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.409 ' N ' ' C ' ' A' ' 8' ' ' THR . 0.8 OUTLIER -62.07 -30.93 71.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.308 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.52 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -66.18 -75.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.313 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.52 ' C ' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -31.56 -42.37 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.334 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 11' ' ' GLU . 2.8 mm-40 -57.71 -73.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.332 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.43 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 1.8 ptpm? -48.56 -23.24 0.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.224 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.402 ' N ' ' C ' ' A' ' 13' ' ' GLN . 58.6 m-70 -92.23 49.99 1.58 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.53 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.5 mtmt -110.17 26.91 10.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 109.251 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -132.19 166.28 22.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 19' ' ' LYS . 0.2 OUTLIER -54.7 -47.24 73.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 110.043 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.416 ' O ' ' CG2' ' A' ' 33' ' ' THR . 0.3 OUTLIER -40.07 -51.86 2.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.3 m -140.07 98.26 3.41 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.581 1.176 . . . . 0.0 109.968 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -104.19 109.96 21.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.36 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.477 ' CD1' ' HA ' ' A' ' 31' ' ' ASP . 8.6 m0 -113.01 158.42 20.3 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.524 1.14 . . . . 0.0 107.943 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.446 ' CG1' ' HB2' ' A' ' 30' ' ' TYR . 10.6 p -155.13 121.2 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 0.0 109.339 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.408 HG22 ' CD1' ' A' ' 79' ' ' LEU . 39.3 mt -70.18 110.42 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.568 HD22 ' CE2' ' A' ' 30' ' ' TYR . 0.9 OUTLIER -119.45 119.24 33.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.387 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.46 ' NE2' ' CD ' ' A' ' 59' ' ' GLU . 16.9 m80 39.81 55.91 2.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.611 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.6 m170 54.76 51.15 14.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.61 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.65 101.71 0.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.471 ' CG1' ' HB3' ' A' ' 79' ' ' LEU . 5.5 m -60.96 141.46 17.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.589 ' CE2' ' HB2' ' A' ' 71' ' ' SER . 3.7 m-30 -116.84 104.46 11.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 111.029 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.477 ' HA ' ' CD1' ' A' ' 22' ' ' TRP . 48.0 t0 -72.96 71.05 1.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.432 ' CD2' HG13 ' A' ' 23' ' ' VAL . 0.7 OUTLIER -89.45 42.83 1.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.271 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.416 ' CG2' ' O ' ' A' ' 19' ' ' LYS . 65.5 m -64.5 -54.13 37.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.353 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.98 -39.57 95.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.531 ' HB2' ' CZ ' ' A' ' 74' ' ' TYR . 88.6 t80 -90.05 17.47 6.88 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.491 1.119 . . . . 0.0 111.033 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.404 ' HB3' ' O ' ' A' ' 33' ' ' THR . 2.6 tm? -72.32 -50.03 30.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -89.46 -8.21 53.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.281 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -85.67 -24.25 27.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.266 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.593 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 5.4 t-160 -49.8 126.15 18.28 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.481 1.113 . . . . 0.0 109.656 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.593 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.5 Cg_endo -75.02 -30.45 7.12 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.492 1.785 . . . . 0.0 111.001 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.67 -66.77 2.32 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.523 1.139 . . . . 0.0 110.949 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.402 ' O ' HD12 ' A' ' 46' ' ' LEU . . . -174.07 153.89 18.04 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -90.47 -25.7 20.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 0.734 . . . . 0.0 110.283 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' A' ' 48' ' ' GLU . 10.5 tt0 -79.49 -52.82 7.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.323 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 44' ' ' GLU . 0.2 OUTLIER -39.94 -29.49 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 44' ' ' GLU . 0.6 OUTLIER -87.17 -52.86 5.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.36 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.458 ' O ' ' C ' ' A' ' 48' ' ' GLU . 1.7 mtp85 -62.63 -60.01 4.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 44' ' ' GLU . 0.3 OUTLIER -34.08 -44.57 0.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.429 1.08 . . . . 0.0 110.285 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.428 ' OE1' ' ND2' ' A' ' 57' ' ' ASN . 11.8 pt20 -128.83 48.74 2.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 110.29 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 46' ' ' LEU . . . -73.01 -91.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.422 ' CA ' ' HB ' ' A' ' 12' ' ' ILE . . . -42.23 -32.41 1.11 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.5 -137.24 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -135.09 114.95 12.91 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.499 0.764 . . . . 0.0 109.268 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 58' ' ' PHE . . . -113.95 26.14 10.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.258 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.412 ' O ' ' HB3' ' A' ' 58' ' ' PHE . 28.8 m -50.04 -72.06 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.396 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.491 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 9.9 mt-10 -60.76 -36.49 79.08 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.568 1.168 . . . . 0.0 110.285 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.428 ' ND2' ' OE1' ' A' ' 49' ' ' GLN . 2.8 m120 -65.97 -16.19 63.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.804 ' CD1' ' CE1' ' A' ' 63' ' ' HIS . 71.5 t80 -99.38 -40.05 8.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.994 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.46 ' CD ' ' NE2' ' A' ' 26' ' ' HIS . 2.6 mm-40 -80.98 -30.42 35.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.368 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 40.3 t0 -58.87 -44.15 91.04 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.49 ' CG2' ' CE1' ' A' ' 63' ' ' HIS . 5.7 m -69.12 -15.26 19.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 59.62 84.18 0.05 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.454 1.096 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.804 ' CE1' ' CD1' ' A' ' 58' ' ' PHE . 35.7 m80 -70.75 140.17 51.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 109.573 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 68.1 m -82.2 169.94 16.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.94 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -50.07 -47.37 53.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.404 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 65' ' ' THR . 0.5 OUTLIER -40.4 -41.4 1.38 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.97 -46.92 66.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 65' ' ' THR . 43.4 ttt85 -42.95 -40.22 2.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.345 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.7 -49.96 48.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.582 1.176 . . . . 0.0 110.347 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 73' ' ' THR . 0.4 OUTLIER -60.58 -65.03 0.75 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.397 1.061 . . . . 0.0 109.287 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.589 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 2.3 p -37.19 -54.82 1.01 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.033 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.515 ' O ' ' CG2' ' A' ' 75' ' ' ILE . 10.6 tptt -60.3 -42.36 95.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.347 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.504 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -66.34 -30.11 70.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.615 1.197 . . . . 0.0 110.356 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.531 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 36.8 m-85 -100.11 38.4 1.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 111.062 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.588 HD13 ' CD1' ' A' ' 30' ' ' TYR . 8.0 tp -108.45 139.85 29.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.222 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.442 HG12 ' N ' ' A' ' 77' ' ' GLY . 0.2 OUTLIER -126.82 -34.98 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.446 1.091 . . . . 0.0 109.354 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.442 ' N ' HG12 ' A' ' 76' ' ' ILE . . . 167.85 -162.97 36.77 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.581 1.176 . . . . 0.0 111.032 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -121.06 170.0 9.95 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.558 0.799 . . . . 0.0 110.264 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.484 ' C ' ' CD2' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -108.55 151.1 26.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.46 ' N ' HD23 ' A' ' 79' ' ' LEU . 4.3 t-160 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.664 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.471 ' HA ' ' CE ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -100.79 118.67 37.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 111.026 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -109.24 152.29 25.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.943 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.4 p -80.64 151.46 28.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.352 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.71 -16.89 12.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.103 . . . . 0.0 109.323 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -68.27 -36.14 78.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.355 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.486 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -57.77 -74.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 110.292 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.486 ' C ' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -33.78 -46.87 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -53.17 -69.14 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 110.295 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 0.9 OUTLIER -56.23 -18.8 11.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.445 1.091 . . . . 0.0 109.326 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.406 ' NE2' ' HG3' ' A' ' 11' ' ' GLU . 75.3 m-70 -99.56 43.39 1.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.536 1.148 . . . . 0.0 109.597 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.4 ttpp -109.6 29.26 7.75 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.469 1.106 . . . . 0.0 109.337 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -126.83 161.19 28.82 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.1 m -49.63 -48.02 49.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.54 1.15 . . . . 0.0 109.956 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.458 ' O ' ' CG2' ' A' ' 33' ' ' THR . 0.0 OUTLIER -40.96 -54.43 2.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.5 m -139.96 98.22 3.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.565 1.166 . . . . 0.0 109.932 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.1 m -103.3 112.66 25.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.379 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.422 ' O ' ' C ' ' A' ' 50' ' ' ALA . 13.3 m0 -110.72 163.55 13.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 108.023 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.481 HG12 ' CD2' ' A' ' 32' ' ' LEU . 5.4 p -159.71 115.27 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 7.8 mt -65.34 110.95 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.355 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.577 HD21 ' CD2' ' A' ' 30' ' ' TYR . 1.1 mp -117.58 118.65 32.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.469 ' CE1' ' HB3' ' A' ' 25' ' ' LEU . 0.1 OUTLIER 39.7 53.83 2.5 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.54 1.15 . . . . 0.0 109.58 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.488 ' O ' ' CG ' ' A' ' 28' ' ' LYS . 1.3 m-70 59.46 51.83 6.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.64 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.488 ' CG ' ' O ' ' A' ' 27' ' ' HIS . 1.9 mtmm -169.4 109.22 0.44 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 0.0 109.253 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.447 ' CG1' ' HB3' ' A' ' 79' ' ' LEU . 10.1 m -68.88 140.48 18.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.577 ' CD2' HD21 ' A' ' 25' ' ' LEU . 4.3 m-30 -116.92 108.74 16.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -76.79 70.62 3.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.481 ' CD2' HG12 ' A' ' 23' ' ' VAL . 0.6 OUTLIER -89.78 42.66 1.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.458 ' CG2' ' O ' ' A' ' 19' ' ' LYS . 97.7 m -62.95 -53.0 60.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.16 . . . . 0.0 110.454 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -39.8 93.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.528 ' HB2' ' CZ ' ' A' ' 74' ' ' TYR . 86.7 t80 -89.62 18.49 5.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -73.92 -49.71 23.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.93 -8.29 52.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.326 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -86.07 -22.48 27.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.257 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.596 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 5.4 t-160 -49.85 126.25 18.69 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.596 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.596 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.0 Cg_endo -75.08 -30.07 7.44 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.595 1.839 . . . . 0.0 110.916 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.07 -68.11 1.78 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.439 1.087 . . . . 0.0 110.966 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.03 147.8 9.58 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.54 -25.94 26.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 0.745 . . . . 0.0 110.33 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 48' ' ' GLU . 6.5 mm-40 -77.17 -54.67 6.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 110.298 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -39.97 -29.24 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.348 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.461 ' N ' ' C ' ' A' ' 44' ' ' GLU . 1.2 mt -84.79 -65.84 0.96 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -53.51 -54.92 30.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 110.284 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 44' ' ' GLU . 50.1 tt0 -35.8 -44.84 0.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.417 1.073 . . . . 0.0 110.269 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -131.49 49.03 2.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.261 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 46' ' ' LEU . . . -70.9 -93.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.353 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.434 ' CA ' ' HB ' ' A' ' 12' ' ' ILE . . . -39.16 -34.05 0.31 Allowed Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.571 1.17 . . . . 0.0 111.043 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 51' ' ' GLY . . . -59.64 -140.55 0.01 OUTLIER Glycine 0 CA--C 1.531 1.041 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -129.36 111.37 12.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.581 0.813 . . . . 0.0 109.274 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -113.57 25.38 11.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.266 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.8 m -57.14 -60.16 4.02 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.425 1.078 . . . . 0.0 110.422 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -63.33 -44.51 94.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.329 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -59.95 -19.9 54.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.543 ' CD2' HD23 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -93.15 -39.8 10.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 111.005 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -77.86 -37.59 47.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 110.273 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -56.88 -43.63 81.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.418 ' CG2' ' CE1' ' A' ' 63' ' ' HIS . 5.4 m -69.92 -16.8 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 58.92 85.4 0.04 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.514 1.134 . . . . 0.0 110.977 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.418 ' CE1' ' CG2' ' A' ' 61' ' ' VAL . 30.7 m80 -70.05 139.82 52.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 0.75 . . . . 0.0 109.644 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.2 p -83.29 168.96 16.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.059 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -50.38 -42.09 52.88 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 0.0 110.406 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -45.25 -40.34 7.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.63 -47.89 68.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.7 mmt-85 -48.46 -24.69 1.35 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 110.343 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -76.23 -55.45 5.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.284 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.494 ' O ' ' C ' ' A' ' 71' ' ' SER . 0.1 OUTLIER -66.35 -61.33 2.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.247 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.575 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -31.75 -55.9 0.28 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.436 1.085 . . . . 0.0 110.026 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.46 -53.18 61.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.475 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.7 OUTLIER -57.63 -29.33 64.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.399 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.528 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 45.7 m-85 -99.85 39.04 1.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 0.0 110.961 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.411 ' CD1' ' HE3' ' A' ' 28' ' ' LYS . 7.3 tt -114.61 140.09 37.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.462 HG12 ' N ' ' A' ' 77' ' ' GLY . 0.2 OUTLIER -123.75 -38.3 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.462 ' N ' HG12 ' A' ' 76' ' ' ILE . . . 176.15 -166.53 37.68 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.543 1.152 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -116.1 167.28 11.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 0.745 . . . . 0.0 110.279 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.585 ' O ' ' CD1' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -99.07 141.4 31.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.216 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.522 ' N ' HD23 ' A' ' 79' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.638 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.475 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 8.7 mmmm . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -100.74 116.18 32.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 111.012 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.475 ' CE1' ' HB3' ' A' ' 5' ' ' LYS . 6.3 m-85 -107.2 138.17 43.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 111.009 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.1 p -69.57 157.31 37.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.571 1.169 . . . . 0.0 110.36 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.4 ' N ' HD21 ' A' ' 9' ' ' LEU . 1.3 pt? -58.55 -15.26 10.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.411 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -68.62 -39.81 80.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.327 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.54 ' CG ' ' NE2' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -54.93 -73.38 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.328 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.511 ' C ' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -30.71 -57.22 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -42.54 -57.7 2.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 110.339 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 11' ' ' GLU . 46.2 mmtt -52.17 -44.31 64.56 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.507 1.13 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.54 ' NE2' ' CG ' ' A' ' 11' ' ' GLU . 3.6 m-70 -79.34 59.09 2.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.087 . . . . 0.0 109.595 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -110.1 15.77 22.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -122.93 169.09 11.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.428 ' O ' ' CG2' ' A' ' 33' ' ' THR . 0.9 OUTLIER -58.75 -44.95 90.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.023 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.2 mttm -45.31 -45.39 12.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.6 m -139.96 100.1 3.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.971 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 m -109.27 110.0 21.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.39 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.421 ' CZ3' ' CD2' ' A' ' 7' ' ' TYR . 8.2 m0 -115.12 159.66 20.61 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.566 1.166 . . . . 0.0 107.995 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.463 HG12 ' CD2' ' A' ' 32' ' ' LEU . 3.9 p -158.64 120.67 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.325 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 6.1 mt -69.38 115.4 8.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.585 HD22 ' CE2' ' A' ' 30' ' ' TYR . 1.7 mp -122.27 115.21 21.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.364 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.563 ' O ' ' CG ' ' A' ' 27' ' ' HIS . 14.3 p-80 39.2 60.53 1.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.167 . . . . 0.0 109.569 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.563 ' CG ' ' O ' ' A' ' 26' ' ' HIS . 32.6 p-80 52.98 51.7 15.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.624 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -169.41 100.62 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.342 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.483 ' CG1' ' HB3' ' A' ' 79' ' ' LEU . 5.7 m -63.95 141.99 17.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.586 ' CE2' ' HB3' ' A' ' 71' ' ' SER . 4.5 m-30 -117.68 107.68 14.5 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.501 1.126 . . . . 0.0 110.965 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -76.95 79.11 3.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.463 ' CD2' HG12 ' A' ' 23' ' ' VAL . 0.6 OUTLIER -98.68 54.22 1.03 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 0.0 109.321 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.428 ' CG2' ' O ' ' A' ' 18' ' ' SER . 89.6 m -74.9 -45.57 41.79 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 110.433 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.14 -37.69 69.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.537 ' HB2' ' CZ ' ' A' ' 74' ' ' TYR . 91.7 t80 -88.91 14.93 9.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -69.91 -48.72 57.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.68 -7.96 53.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 110.335 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.33 -24.79 25.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 110.325 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.55 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 5.9 t-160 -50.25 125.19 19.11 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.567 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.55 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.5 Cg_endo -74.95 -28.33 9.36 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.474 1.776 . . . . 0.0 111.035 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.97 -68.61 1.6 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.511 1.132 . . . . 0.0 111.032 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.1 144.28 7.48 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.77 -9.59 58.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 0.746 . . . . 0.0 110.303 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.479 ' O ' ' N ' ' A' ' 48' ' ' GLU . 0.5 OUTLIER -94.8 -54.04 3.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 110.319 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 44' ' ' GLU . 0.2 OUTLIER -39.97 -29.14 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.454 ' N ' ' C ' ' A' ' 44' ' ' GLU . 0.7 OUTLIER -82.95 -64.16 1.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 109.327 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.45 ' O ' ' C ' ' A' ' 48' ' ' GLU . 10.6 mtm180 -54.67 -55.37 30.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 44' ' ' GLU . 4.9 tt0 -34.05 -41.1 0.1 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 110.261 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -136.24 46.59 2.27 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 0.0 110.315 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 46' ' ' LEU . . . -67.31 -93.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.422 ' CA ' ' HB ' ' A' ' 12' ' ' ILE . . . -40.04 -30.65 0.26 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.545 1.153 . . . . 0.0 111.018 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 51' ' ' GLY . . . -60.35 -138.18 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -134.29 110.86 9.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 0.791 . . . . 0.0 109.271 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 58' ' ' PHE . . . -114.05 21.18 15.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.8 m -50.26 -58.61 5.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.419 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.521 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 5.7 mt-10 -69.46 -41.92 75.59 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.494 1.122 . . . . 0.0 110.264 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -64.31 -12.0 37.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.784 ' CD1' ' CE1' ' A' ' 63' ' ' HIS . 68.9 t80 -99.08 -49.33 4.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.988 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 60' ' ' ASP . 1.0 OUTLIER -75.86 -27.97 58.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.309 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.521 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 14.1 t0 -59.37 -46.13 89.5 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.427 ' CG2' ' CE1' ' A' ' 63' ' ' HIS . 8.0 m -66.01 -18.17 23.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 66.53 84.4 0.09 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.461 1.1 . . . . 0.0 110.925 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.784 ' CE1' ' CD1' ' A' ' 58' ' ' PHE . 36.6 m80 -72.82 140.08 47.42 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 0.756 . . . . 0.0 109.554 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.56 169.75 14.1 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.528 1.142 . . . . 0.0 109.993 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 68' ' ' ARG . 0.9 OUTLIER -49.49 -45.19 46.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.339 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -42.05 -37.95 1.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.346 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -73.12 -45.71 55.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.232 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 65' ' ' THR . 1.0 OUTLIER -48.44 -25.83 1.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.09 . . . . 0.0 110.309 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.43 -52.89 7.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.327 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.492 ' O ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -64.52 -62.75 1.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.358 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.586 ' HB3' ' CE2' ' A' ' 30' ' ' TYR . 34.3 m -32.07 -54.5 0.3 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.947 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.401 ' O ' ' CG2' ' A' ' 75' ' ' ILE . 0.0 OUTLIER -59.96 -53.91 52.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.46 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.7 OUTLIER -56.32 -29.6 61.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.355 -179.928 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.537 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 45.9 m-85 -100.12 37.21 1.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.401 ' CG2' ' O ' ' A' ' 72' ' ' LYS . 7.1 tt -112.62 140.58 31.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.46 HG12 ' N ' ' A' ' 77' ' ' GLY . 0.2 OUTLIER -124.12 -38.38 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.46 ' N ' HG12 ' A' ' 76' ' ' ILE . . . 179.83 -157.67 20.7 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.484 1.115 . . . . 0.0 111.012 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -125.29 160.3 29.62 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 0.769 . . . . 0.0 110.351 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.535 ' O ' ' CD1' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -83.22 144.22 29.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.074 . . . . 0.0 109.272 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.479 ' N ' HD23 ' A' ' 79' ' ' LEU . 4.7 t60 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.6 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.456 ' HG3' ' CE1' ' A' ' 7' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -100.98 117.5 35.15 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.465 1.103 . . . . 0.0 111.022 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.456 ' CE1' ' HG3' ' A' ' 5' ' ' LYS . 13.7 m-85 -107.84 150.2 27.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.389 1.055 . . . . 0.0 111.041 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.409 ' C ' ' N ' ' A' ' 10' ' ' GLU . 2.2 p -84.75 146.93 27.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.395 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -49.38 -21.63 0.94 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.409 ' N ' ' C ' ' A' ' 8' ' ' THR . 3.0 mt-10 -61.93 -29.7 70.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 110.269 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.469 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -67.32 -75.05 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.296 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.469 ' C ' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -35.28 -41.59 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -57.21 -77.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.418 ' HE3' ' NE2' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -50.29 -24.33 2.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 109.373 179.909 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.454 ' CD2' ' HG2' ' A' ' 11' ' ' GLU . 69.9 m-70 -94.22 44.53 1.12 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.603 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.8 ttpt -110.18 22.41 15.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -118.4 169.38 9.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.58 -44.96 81.55 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.521 1.138 . . . . 0.0 110.003 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.56 -51.94 11.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.5 m -135.44 96.33 3.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.049 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 m -98.45 109.87 22.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 110.402 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.442 ' CD1' ' HA ' ' A' ' 31' ' ' ASP . 12.7 m0 -118.16 157.03 27.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 108.009 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.43 HG12 ' CD2' ' A' ' 32' ' ' LEU . 3.4 p -156.04 125.25 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 59.9 mt -68.34 116.34 8.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.597 HD21 ' CD2' ' A' ' 30' ' ' TYR . 2.4 mp -129.77 137.16 50.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 109.365 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.435 ' C ' ' O ' ' A' ' 25' ' ' LEU . 18.1 m80 37.64 36.32 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.587 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 70.0 48.2 0.55 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.598 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.552 ' CG ' ' O ' ' A' ' 25' ' ' LEU . 5.3 ptpp? -170.18 127.17 0.83 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.468 HG22 ' CD1' ' A' ' 76' ' ' ILE . 15.1 m -67.48 146.71 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.597 ' CD2' HD21 ' A' ' 25' ' ' LEU . 2.0 m-30 -120.26 96.85 5.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.962 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.442 ' HA ' ' CD1' ' A' ' 22' ' ' TRP . 22.5 t0 -64.73 78.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.43 ' CD2' HG12 ' A' ' 23' ' ' VAL . 0.5 OUTLIER -102.33 41.68 1.21 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 109.329 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 88.7 m -66.06 -46.87 76.24 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.479 1.112 . . . . 0.0 110.366 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.422 ' NZ ' ' OD2' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -68.05 -43.05 79.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 74' ' ' TYR . 93.5 t80 -89.99 24.82 2.3 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 111.034 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.403 ' C ' ' CD1' ' A' ' 36' ' ' LEU . 1.3 tm? -76.68 -47.49 21.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -90.12 -11.66 40.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.289 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -82.08 -22.25 36.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.333 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.582 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 4.7 t-160 -49.94 126.57 19.65 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 109.601 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.582 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.4 Cg_endo -75.01 -29.58 8.05 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.532 1.806 . . . . 0.0 110.985 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.29 -67.01 2.15 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.545 1.153 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.06 144.18 7.43 Favored Glycine 0 CA--C 1.531 1.057 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.53 -11.14 56.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.583 0.813 . . . . 0.0 110.294 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.474 ' O ' ' N ' ' A' ' 48' ' ' GLU . 1.0 OUTLIER -92.8 -53.38 4.19 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.488 1.118 . . . . 0.0 110.323 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -41.02 -27.67 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.467 ' N ' ' C ' ' A' ' 44' ' ' GLU . 0.7 OUTLIER -84.97 -61.01 1.88 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.456 ' O ' ' C ' ' A' ' 48' ' ' GLU . 8.4 mtm180 -58.58 -57.16 14.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.294 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 44' ' ' GLU . 7.1 tt0 -34.02 -44.79 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 110.308 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -132.15 51.83 2.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 22' ' ' TRP . . . -73.87 -91.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.349 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -41.47 -31.02 0.59 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.555 1.159 . . . . 0.0 111.035 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.53 -137.55 0.01 OUTLIER Glycine 0 CA--C 1.53 0.969 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -132.98 110.98 10.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 0.737 . . . . 0.0 109.295 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 58' ' ' PHE . . . -113.97 18.19 17.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.353 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.8 m -49.95 -61.52 2.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 110.425 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -66.63 -41.94 87.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 0.0 110.271 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -64.13 -13.56 48.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.814 ' CD1' ' CE1' ' A' ' 63' ' ' HIS . 72.6 t80 -99.1 -40.45 8.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 110.978 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -80.09 -33.75 38.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.616 1.197 . . . . 0.0 110.34 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -57.44 -43.78 84.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.505 ' CG2' ' CE1' ' A' ' 63' ' ' HIS . 7.8 m -67.4 -15.19 19.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 59.11 84.9 0.04 OUTLIER Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.526 1.141 . . . . 0.0 110.972 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.814 ' CE1' ' CD1' ' A' ' 58' ' ' PHE . 34.4 m80 -71.9 140.16 49.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 0.765 . . . . 0.0 109.601 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 20.5 m -81.23 169.98 16.66 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.427 1.08 . . . . 0.0 109.979 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -50.44 -47.46 56.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 110.407 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -40.58 -40.62 1.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.48 -46.63 59.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.24 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 65' ' ' THR . 80.4 mtt-85 -44.14 -34.29 1.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.59 1.181 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -76.37 -56.24 4.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.335 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.557 ' O ' ' N ' ' A' ' 73' ' ' THR . 0.3 OUTLIER -53.31 -61.48 2.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.593 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 8.0 p -40.3 -57.63 1.7 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.105 . . . . 0.0 109.976 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.444 ' O ' ' CG2' ' A' ' 75' ' ' ILE . 3.8 tttm -58.74 -28.85 66.26 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.413 1.07 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.557 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -80.03 -30.01 39.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.419 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.566 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 34.8 m-85 -100.18 37.13 1.71 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.091 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.487 HD13 ' CE1' ' A' ' 30' ' ' TYR . 9.8 tp -107.46 139.8 28.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.468 ' CD1' HG22 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -123.63 -33.75 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.434 1.084 . . . . 0.0 109.291 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 173.31 -163.69 35.26 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -124.53 164.91 18.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 0.722 . . . . 0.0 110.303 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.46 ' C ' ' CD2' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -98.32 147.52 24.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.427 ' O ' HD23 ' A' ' 79' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.597 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.573 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -100.46 122.36 43.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 111.013 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.573 ' CE1' ' HB3' ' A' ' 5' ' ' LYS . 9.6 m-85 -109.74 148.68 30.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 111.048 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.9 p -75.12 155.75 36.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.403 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -62.56 -14.43 42.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.155 . . . . 0.0 109.355 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.82 -35.66 77.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.589 1.181 . . . . 0.0 110.303 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -59.32 -71.2 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.338 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.446 ' C ' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -36.49 -47.58 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.349 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.423 ' C ' ' N ' ' A' ' 15' ' ' HIS . 6.4 mm-40 -54.82 -81.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.203 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.412 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 0.2 OUTLIER -45.01 -26.32 0.42 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.579 1.174 . . . . 0.0 109.307 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.423 ' N ' ' C ' ' A' ' 13' ' ' GLN . 85.8 m-70 -95.13 45.49 1.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.08 . . . . 0.0 109.629 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -109.69 26.82 10.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -122.39 169.21 11.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.02 -48.67 75.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.586 1.179 . . . . 0.0 110.021 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.4 ' O ' ' CG2' ' A' ' 33' ' ' THR . 0.6 OUTLIER -40.9 -51.84 3.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.427 1.079 . . . . 0.0 109.305 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.4 m -138.43 94.14 2.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.998 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.7 m -96.69 113.36 24.92 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.142 . . . . 0.0 110.431 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 9.2 m0 -118.38 156.97 28.03 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.2 p -158.29 116.59 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.8 mt -64.07 112.71 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.171 . . . . 0.0 109.244 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.574 HD22 ' CE2' ' A' ' 30' ' ' TYR . 0.7 OUTLIER -120.31 120.59 36.48 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.405 ' HE1' ' CE1' ' A' ' 58' ' ' PHE . 0.3 OUTLIER 39.97 54.4 2.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.581 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.7 m170 56.83 50.43 12.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.611 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.01 103.13 0.3 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.446 HG22 ' CD1' ' A' ' 76' ' ' ILE . 7.9 m -60.88 142.42 15.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.592 ' CE2' ' HB3' ' A' ' 71' ' ' SER . 3.6 m-30 -116.97 109.85 17.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.938 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -80.55 81.83 6.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.088 . . . . 0.0 109.32 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -99.42 43.17 1.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.4 ' CG2' ' O ' ' A' ' 19' ' ' LYS . 80.4 m -60.57 -48.22 82.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.427 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.97 -40.12 72.12 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.605 1.191 . . . . 0.0 109.317 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.586 ' CD2' ' O ' ' A' ' 35' ' ' TYR . 80.9 t80 -89.96 25.98 1.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 111.072 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.417 HD11 ' N ' ' A' ' 37' ' ' GLU . 1.7 tm? -82.0 -49.86 9.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.232 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.417 ' N ' HD11 ' A' ' 36' ' ' LEU . 2.3 pt-20 -90.14 -6.89 54.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.27 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -87.63 -22.95 24.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.254 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.596 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 4.8 t-160 -50.05 126.76 20.59 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.564 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.596 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.4 Cg_endo -75.02 -28.74 8.87 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.512 1.796 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.47 -68.75 1.55 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.558 1.161 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.05 150.02 11.33 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -86.22 -27.08 24.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 0.771 . . . . 0.0 110.296 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.539 ' O ' ' N ' ' A' ' 48' ' ' GLU . 3.1 mt-10 -76.31 -54.73 6.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.425 1.078 . . . . 0.0 110.28 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 44' ' ' GLU . 0.2 OUTLIER -39.88 -28.98 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.46 ' N ' ' C ' ' A' ' 44' ' ' GLU . 1.2 mt -86.01 -57.85 2.87 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.536 1.148 . . . . 0.0 109.327 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.464 ' O ' ' C ' ' A' ' 48' ' ' GLU . 27.0 mtm180 -61.56 -57.87 10.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.414 1.071 . . . . 0.0 110.308 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.539 ' N ' ' O ' ' A' ' 44' ' ' GLU . 4.8 tt0 -33.52 -44.84 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 110.272 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -131.12 52.1 2.09 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.518 1.136 . . . . 0.0 110.327 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.37 -91.32 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.427 1.08 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.41 ' O ' ' HB ' ' A' ' 12' ' ' ILE . . . -39.77 -32.08 0.3 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.485 1.116 . . . . 0.0 110.974 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 51' ' ' GLY . . . -60.23 -138.8 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -133.87 110.99 10.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.527 0.781 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -110.18 28.56 8.5 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.515 1.134 . . . . 0.0 109.242 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.8 m -56.5 -69.64 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 110.355 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -60.65 -37.42 81.46 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.477 1.111 . . . . 0.0 110.333 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -62.55 -24.13 67.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.264 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.507 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 0.4 OUTLIER -90.84 -39.96 12.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 110.916 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -76.57 -35.38 58.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.437 1.085 . . . . 0.0 110.313 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -57.89 -43.36 86.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.08 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.416 ' CG2' ' CE1' ' A' ' 63' ' ' HIS . 5.3 m -71.03 -15.38 18.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 58.79 85.1 0.04 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.509 1.131 . . . . 0.0 111.013 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.416 ' CE1' ' CG2' ' A' ' 61' ' ' VAL . 31.1 m80 -70.03 139.84 52.75 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.495 0.762 . . . . 0.0 109.534 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -81.7 170.01 16.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.008 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -50.74 -47.65 59.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.465 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -41.54 -40.1 1.76 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 109.244 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.67 -48.34 69.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.359 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 65' ' ' THR . 11.9 mtt-85 -45.89 -34.45 3.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.274 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -71.43 -56.1 6.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.329 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.476 ' N ' HD12 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -58.96 -62.41 1.9 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.553 1.158 . . . . 0.0 109.335 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.592 ' HB3' ' CE2' ' A' ' 30' ' ' TYR . 58.8 m -32.86 -58.86 0.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.971 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.85 -51.28 68.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.463 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -57.7 -32.64 67.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.132 . . . . 0.0 110.468 179.932 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.533 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 51.1 m-85 -99.86 41.81 1.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.977 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.1 tt -116.7 139.88 41.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.551 1.157 . . . . 0.0 109.333 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.46 HG12 ' N ' ' A' ' 77' ' ' GLY . 0.2 OUTLIER -123.03 -38.07 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.46 ' N ' HG12 ' A' ' 76' ' ' ILE . . . 173.78 -164.06 35.41 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.501 1.126 . . . . 0.0 111.042 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -120.49 163.96 17.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 0.78 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.575 ' O ' ' CD1' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -91.79 148.38 22.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.335 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.528 ' N ' HD23 ' A' ' 79' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.57 1.169 . . . . 0.0 109.638 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.575 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.245 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -100.83 114.08 27.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 0.0 111.048 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.575 ' CE1' ' HB3' ' A' ' 5' ' ' LYS . 16.4 m-85 -104.69 151.0 24.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.105 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.9 p -78.43 149.38 33.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 110.381 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -54.43 -16.33 2.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -69.15 -39.1 79.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.166 . . . . 0.0 110.329 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.432 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -52.52 -67.52 0.25 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 110.278 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.457 ' HB ' ' CA ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -43.94 -50.74 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.266 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -48.44 -76.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.432 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -50.93 -30.45 14.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.408 1.068 . . . . 0.0 109.263 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.43 ' N ' ' O ' ' A' ' 11' ' ' GLU . 80.6 m-70 -90.42 44.4 1.2 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.513 1.133 . . . . 0.0 109.594 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.0 tttt -110.41 31.2 6.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.435 1.085 . . . . 0.0 109.347 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.75 168.72 15.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.108 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -52.72 -51.02 62.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.039 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 18' ' ' SER . 2.4 tttt -40.33 -53.41 2.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.9 m -135.37 96.22 3.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.425 1.078 . . . . 0.0 110.038 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.9 m -99.0 113.37 25.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 110.489 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.442 ' O ' ' C ' ' A' ' 50' ' ' ALA . 10.2 m0 -119.54 159.34 24.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.557 1.16 . . . . 0.0 107.981 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.2 p -158.21 116.16 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.377 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 9.9 mt -65.64 119.59 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.574 HD21 ' CD2' ' A' ' 30' ' ' TYR . 1.5 mp -126.59 117.57 23.07 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 10.3 p-80 39.17 56.48 2.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.58 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 57.34 52.1 9.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.589 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -170.08 105.02 0.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.352 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.429 ' CG2' HD11 ' A' ' 76' ' ' ILE . 5.9 m -67.21 142.01 17.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 0.0 109.261 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.606 ' CE2' ' HB3' ' A' ' 71' ' ' SER . 4.6 m-30 -117.31 110.74 18.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 110.992 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -81.18 79.73 7.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.308 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 36' ' ' LEU . 0.7 OUTLIER -96.8 41.98 1.1 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 109.271 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 95.5 m -61.41 -46.03 91.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 0.0 110.394 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.13 -39.2 68.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.539 ' HB2' ' CZ ' ' A' ' 74' ' ' TYR . 90.0 t80 -90.12 16.18 8.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.959 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 32' ' ' LEU . 1.7 tm? -71.23 -49.89 38.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.412 ' N ' HD11 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -89.63 -8.0 53.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.427 1.08 . . . . 0.0 110.293 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -86.03 -22.72 27.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 110.317 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.569 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 5.2 t-160 -49.87 125.53 17.88 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.615 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.569 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.5 Cg_endo -74.94 -31.44 6.31 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.43 1.753 . . . . 0.0 111.041 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.76 -67.57 1.99 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.493 1.121 . . . . 0.0 110.97 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.11 149.14 10.49 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -85.9 -34.78 20.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 0.75 . . . . 0.0 110.371 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.504 ' O ' ' N ' ' A' ' 48' ' ' GLU . 2.8 mm-40 -68.76 -54.04 18.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.407 ' C ' ' O ' ' A' ' 44' ' ' GLU . 0.2 OUTLIER -39.84 -29.68 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.592 1.182 . . . . 0.0 109.248 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.455 ' N ' ' C ' ' A' ' 44' ' ' GLU . 0.9 OUTLIER -85.9 -61.43 1.75 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.459 ' O ' ' C ' ' A' ' 48' ' ' GLU . 0.2 OUTLIER -56.67 -56.74 17.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.314 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' A' ' 44' ' ' GLU . 4.2 tp10 -33.79 -45.44 0.19 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.546 1.154 . . . . 0.0 110.317 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -133.46 52.33 2.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 110.35 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 22' ' ' TRP . . . -72.83 -89.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.457 ' CA ' ' HB ' ' A' ' 12' ' ' ILE . . . -41.49 -32.85 0.84 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.595 1.184 . . . . 0.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 51' ' ' GLY . . . -59.67 -139.88 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -131.42 110.13 10.81 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.484 0.755 . . . . 0.0 109.317 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.4 ' O ' ' HB2' ' A' ' 58' ' ' PHE . . . -114.63 29.53 7.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 109.243 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.5 m -58.64 -60.34 3.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.401 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.415 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 2.5 mp0 -64.64 -40.49 95.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.296 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -65.54 -15.46 62.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.322 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.822 ' CD1' ' CE1' ' A' ' 63' ' ' HIS . 73.7 t80 -98.0 -40.75 8.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 111.041 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -79.99 -33.64 39.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 110.252 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.415 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 30.2 t70 -57.32 -45.52 84.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.499 ' CG2' ' CE1' ' A' ' 63' ' ' HIS . 10.9 m -65.75 -18.64 24.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.42 1.075 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 63.12 83.07 0.08 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.822 ' CE1' ' CD1' ' A' ' 58' ' ' PHE . 35.7 m80 -70.74 138.91 50.92 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.44 0.729 . . . . 0.0 109.607 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.2 p -81.07 170.17 16.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.983 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -51.32 -42.81 61.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.118 . . . . 0.0 110.405 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -43.78 -40.64 4.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.357 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.3 -46.09 71.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.335 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -41.24 -48.35 3.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 110.319 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -61.97 -53.02 61.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 0.0 110.261 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.471 ' O ' ' C ' ' A' ' 71' ' ' SER . 2.4 mp -57.56 -67.18 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.596 1.185 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.606 ' HB3' ' CE2' ' A' ' 30' ' ' TYR . 26.1 m -33.12 -55.14 0.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 110.007 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.21 -52.65 64.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.587 1.179 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.46 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.7 OUTLIER -57.17 -32.09 66.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.471 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.539 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 58.8 m-85 -100.04 42.04 1.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.975 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.9 tt -116.46 140.26 39.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.425 1.078 . . . . 0.0 109.297 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.468 HG12 ' N ' ' A' ' 77' ' ' GLY . 0.2 OUTLIER -123.13 -38.74 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.468 ' N ' HG12 ' A' ' 76' ' ' ILE . . . 172.64 -168.31 41.34 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.491 1.12 . . . . 0.0 110.991 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -114.58 170.11 8.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 0.768 . . . . 0.0 110.25 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.462 ' C ' ' CD2' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -102.24 147.53 26.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.353 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.423 ' O ' HD23 ' A' ' 79' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.561 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.494 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 9.2 mmmm . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -101.0 105.92 17.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.989 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.494 ' CE1' ' HB3' ' A' ' 5' ' ' LYS . 10.5 m-85 -95.51 147.93 23.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.2 p -77.86 147.99 34.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.344 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.415 ' O ' HG12 ' A' ' 12' ' ' ILE . 0.9 OUTLIER -52.32 -19.83 2.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.54 -34.63 78.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.145 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.483 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -59.74 -72.33 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.248 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.445 ' C ' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -37.05 -41.55 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -59.93 -76.4 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 110.25 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.601 ' HD2' ' CE1' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -51.19 -21.4 2.01 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.601 ' CE1' ' HD2' ' A' ' 14' ' ' LYS . 73.4 m-70 -97.6 44.83 1.04 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.596 1.185 . . . . 0.0 109.652 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.7 tttt -110.04 34.74 3.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.257 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -129.85 168.55 16.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.245 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.78 -45.9 78.05 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 0.0 110.05 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.13 -51.97 9.75 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 109.367 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 m -137.08 96.08 3.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.992 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 m -100.74 112.64 25.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 110.363 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.409 ' CE3' HG23 ' A' ' 29' ' ' VAL . 13.0 m0 -117.62 161.01 20.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 108.017 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.4 ' CG1' ' HB2' ' A' ' 30' ' ' TYR . 7.3 p -158.15 123.71 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.548 1.155 . . . . 0.0 109.324 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.469 HG12 ' CD1' ' A' ' 79' ' ' LEU . 9.1 mt -70.2 113.25 5.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.081 . . . . 0.0 109.234 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.584 HD21 ' CD2' ' A' ' 30' ' ' TYR . 1.0 OUTLIER -123.03 115.74 22.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.329 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 41.37 57.44 2.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.604 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 55.36 52.92 10.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.642 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.09 112.63 0.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.09 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.438 ' CG1' ' HB3' ' A' ' 79' ' ' LEU . 8.0 m -71.41 139.7 19.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.585 ' CE2' ' HB2' ' A' ' 71' ' ' SER . 4.3 m-30 -116.18 109.96 18.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 111.01 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.401 ' OD1' ' OG1' ' A' ' 33' ' ' THR . 52.0 t0 -80.08 76.05 6.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.469 ' O ' ' N ' ' A' ' 36' ' ' LEU . 0.9 OUTLIER -90.99 37.87 0.94 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.152 . . . . 0.0 109.295 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.401 ' OG1' ' OD1' ' A' ' 31' ' ' ASP . 93.4 m -57.51 -52.65 64.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.525 1.14 . . . . 0.0 110.433 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.36 -36.02 76.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.555 ' HB2' ' CZ ' ' A' ' 74' ' ' TYR . 73.0 t80 -89.99 16.02 9.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 32' ' ' LEU . 2.1 tm? -74.96 -48.01 26.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.408 1.067 . . . . 0.0 109.255 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -90.12 -6.98 54.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 110.298 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.68 -25.86 23.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.575 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 5.2 t-160 -50.31 126.47 21.62 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.42 1.075 . . . . 0.0 109.599 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.575 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.3 Cg_endo -74.95 -29.19 8.58 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.527 1.804 . . . . 0.0 110.987 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.0 -68.3 1.71 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.475 1.109 . . . . 0.0 110.989 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.1 151.45 13.02 Favored Glycine 0 CA--C 1.529 0.92 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -88.41 -18.06 29.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.433 0.725 . . . . 0.0 110.305 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 48' ' ' GLU . 4.5 mm-40 -86.58 -54.38 4.43 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.501 1.125 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' A' ' 44' ' ' GLU . 0.2 OUTLIER -40.01 -29.16 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.458 ' N ' ' C ' ' A' ' 44' ' ' GLU . 1.4 mt -84.68 -63.95 1.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.259 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -55.1 -55.72 27.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.218 -179.909 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' A' ' 44' ' ' GLU . 4.9 tt0 -35.08 -44.01 0.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.222 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -130.35 47.7 2.49 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 110.278 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.27 -93.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 52' ' ' GLY . . . -39.24 -32.06 0.21 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.564 1.165 . . . . 0.0 110.971 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 51' ' ' GLY . . . -59.85 -141.91 0.01 OUTLIER Glycine 0 CA--C 1.529 0.953 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.7 p-10 -129.08 112.45 14.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 0.734 . . . . 0.0 109.285 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -115.42 32.19 6.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 109.264 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.1 m -62.98 -63.59 1.16 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 110.355 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -63.7 -37.28 86.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -65.11 -22.4 66.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.262 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.501 ' CD2' HD23 ' A' ' 25' ' ' LEU . 0.5 OUTLIER -90.0 -40.0 12.6 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.571 1.169 . . . . 0.0 110.972 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -79.17 -35.46 41.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.13 . . . . 0.0 110.296 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -57.01 -44.88 83.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.48 ' CG2' ' CE1' ' A' ' 63' ' ' HIS . 7.4 m -68.56 -17.95 22.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 61.55 83.83 0.06 OUTLIER Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.48 1.113 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.48 ' CE1' ' CG2' ' A' ' 61' ' ' VAL . 36.0 m80 -70.69 140.07 51.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 0.725 . . . . 0.0 109.564 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.07 169.86 17.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.022 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -51.43 -47.34 63.04 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.547 1.154 . . . . 0.0 110.43 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -41.05 -41.97 1.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.83 -47.3 69.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 65' ' ' THR . 1.0 OUTLIER -39.75 -43.61 1.44 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 110.322 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.79 -58.51 4.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.306 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.507 ' O ' ' N ' ' A' ' 73' ' ' THR . 0.2 OUTLIER -48.96 -63.93 0.95 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.259 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.585 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 2.6 p -39.93 -53.96 2.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.031 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.515 ' O ' ' CG2' ' A' ' 75' ' ' ILE . 0.0 OUTLIER -61.72 -36.24 80.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.507 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -71.3 -31.09 67.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.441 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.555 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 40.1 m-85 -100.15 38.54 1.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 111.06 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.579 HD13 ' CD1' ' A' ' 30' ' ' TYR . 9.8 tp -107.75 139.71 28.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.45 HG12 ' N ' ' A' ' 77' ' ' GLY . 0.2 OUTLIER -125.15 -33.77 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.45 ' N ' HG12 ' A' ' 76' ' ' ILE . . . 165.56 -169.28 39.92 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.503 1.127 . . . . 0.0 110.963 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -115.08 168.52 9.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 0.737 . . . . 0.0 110.308 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.499 ' O ' ' C ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -108.61 150.35 27.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.499 ' C ' ' O ' ' A' ' 79' ' ' LEU . 4.0 t-160 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.548 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.456 ' HB3' ' CZ ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.254 -0.646 . . . . 0.0 109.254 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -100.23 109.07 21.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.135 . . . . 0.0 111.042 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.456 ' CZ ' ' HB3' ' A' ' 5' ' ' LYS . 29.4 m-85 -99.41 155.77 17.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 111.038 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.402 ' C ' ' N ' ' A' ' 10' ' ' GLU . 1.7 p -84.98 143.83 28.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.473 1.108 . . . . 0.0 110.41 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.412 ' O ' HG12 ' A' ' 12' ' ' ILE . 1.0 OUTLIER -49.14 -21.87 0.84 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.402 ' N ' ' C ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -63.77 -32.24 73.68 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.553 1.158 . . . . 0.0 110.295 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.508 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -61.78 -76.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 110.267 -179.908 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.508 ' C ' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -32.35 -42.51 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 0.0 109.289 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 11' ' ' GLU . 11.1 mm-40 -57.01 -74.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.282 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -51.61 -27.56 11.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.367 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.42 ' NE2' ' HG3' ' A' ' 11' ' ' GLU . 74.8 m-70 -93.26 46.78 1.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.63 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -110.0 28.59 8.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 109.284 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -126.1 169.76 12.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 0.0 109.336 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.5 m -54.7 -48.72 72.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.017 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -42.16 -57.62 2.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.409 ' O ' ' O ' ' A' ' 15' ' ' HIS . 57.8 m -129.89 90.87 3.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.027 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 m -96.35 110.51 22.83 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.532 1.145 . . . . 0.0 110.422 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 15.6 m0 -117.78 160.05 22.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.137 . . . . 0.0 107.947 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.438 ' CG1' ' HB2' ' A' ' 30' ' ' TYR . 9.5 p -155.54 124.73 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 20.6 mt -70.88 114.68 9.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.563 1.164 . . . . 0.0 109.307 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.571 HD21 ' CD2' ' A' ' 30' ' ' TYR . 2.2 mp -126.75 133.76 50.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.429 ' C ' ' O ' ' A' ' 25' ' ' LEU . 45.2 m-70 37.72 38.25 0.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.58 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 38.9 m-70 70.13 51.51 0.4 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.62 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.555 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -170.12 132.09 1.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 109.307 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.47 HG22 ' CD1' ' A' ' 76' ' ' ILE . 16.4 m -76.35 142.88 13.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.587 ' CE2' ' HB2' ' A' ' 71' ' ' SER . 2.4 m-30 -118.39 105.68 11.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 111.05 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -75.6 82.39 2.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 36' ' ' LEU . 0.9 OUTLIER -102.04 35.39 2.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.7 m -58.1 -44.23 87.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 110.325 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.1 ttmm -72.07 -41.15 67.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.52 ' HB2' ' CZ ' ' A' ' 74' ' ' TYR . 90.9 t80 -89.6 16.9 7.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 111.093 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 32' ' ' LEU . 2.1 tm? -72.45 -48.04 44.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -89.77 -8.11 52.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.573 1.171 . . . . 0.0 110.277 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.34 -22.99 24.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.426 1.079 . . . . 0.0 110.315 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.584 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 5.2 t-160 -49.93 126.22 19.11 Favored Pre-proline 0 C--N 1.326 -0.421 0 O-C-N 124.478 1.111 . . . . 0.0 109.589 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.584 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.0 Cg_endo -75.09 -29.75 7.76 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.493 1.786 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.15 -67.85 1.88 Allowed Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.566 1.166 . . . . 0.0 111.028 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.0 148.36 9.97 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.91 -17.6 32.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 0.772 . . . . 0.0 110.268 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 48' ' ' GLU . 0.3 OUTLIER -86.69 -54.41 4.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.426 1.079 . . . . 0.0 110.255 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 44' ' ' GLU . 0.2 OUTLIER -39.93 -29.17 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 109.254 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.456 ' N ' ' C ' ' A' ' 44' ' ' GLU . 1.2 mt -83.68 -60.64 2.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.462 ' O ' ' C ' ' A' ' 48' ' ' GLU . 22.3 mtm180 -58.32 -57.27 13.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.439 1.087 . . . . 0.0 110.309 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 44' ' ' GLU . 4.9 tt0 -33.65 -44.99 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.333 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -131.21 50.72 2.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.01 -88.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -43.83 -31.16 1.81 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.542 1.151 . . . . 0.0 111.006 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.37 -137.95 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -132.73 110.02 10.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 0.778 . . . . 0.0 109.235 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 58' ' ' PHE . . . -111.59 17.83 19.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.321 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.6 m -50.21 -60.8 2.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.375 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -66.27 -41.49 89.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.308 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -65.42 -13.49 58.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.804 ' CD1' ' CE1' ' A' ' 63' ' ' HIS . 75.4 t80 -99.56 -40.01 8.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 111.044 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -81.49 -30.77 33.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.417 ' N ' ' HG3' ' A' ' 59' ' ' GLU . 30.3 t0 -61.09 -43.49 98.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.499 ' CG2' ' CE1' ' A' ' 63' ' ' HIS . 7.1 m -67.81 -15.93 20.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 60.0 84.5 0.05 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.426 1.079 . . . . 0.0 111.034 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.804 ' CE1' ' CD1' ' A' ' 58' ' ' PHE . 35.7 m80 -71.58 140.07 49.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 0.775 . . . . 0.0 109.581 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 13.1 m -80.69 169.94 16.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.933 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -50.98 -47.25 61.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.403 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.34 -39.82 1.53 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.333 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.69 -47.28 66.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.611 1.194 . . . . 0.0 109.327 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 65' ' ' THR . 0.3 OUTLIER -42.29 -45.39 4.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.81 -51.49 61.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.477 ' O ' ' C ' ' A' ' 71' ' ' SER . 1.2 mp -58.77 -67.91 0.32 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.336 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.587 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 4.0 p -32.01 -57.8 0.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.974 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.465 ' O ' ' CG2' ' A' ' 75' ' ' ILE . 0.0 OUTLIER -55.99 -52.99 62.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.329 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.47 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -57.62 -30.85 65.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 110.369 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.52 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 46.7 m-85 -99.95 39.9 1.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.986 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.465 ' CG2' ' O ' ' A' ' 72' ' ' LYS . 8.6 tt -117.06 140.65 38.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.47 ' CD1' HG22 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -122.51 -38.55 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.556 1.16 . . . . 0.0 109.335 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.459 ' N ' HG12 ' A' ' 76' ' ' ILE . . . 174.36 -172.88 45.73 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.444 1.09 . . . . 0.0 111.001 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -114.04 169.68 8.83 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.513 0.772 . . . . 0.0 110.369 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.451 HD23 ' N ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -103.78 153.25 20.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.451 ' N ' HD23 ' A' ' 79' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 109.577 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.593 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -100.96 102.1 13.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 111.005 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.593 ' CE1' ' HB3' ' A' ' 5' ' ' LYS . 17.5 m-85 -91.58 147.19 23.19 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 111.039 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.425 ' C ' ' N ' ' A' ' 10' ' ' GLU . 2.2 p -75.46 149.13 38.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 0.0 110.408 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.462 ' O ' HG12 ' A' ' 12' ' ' ILE . 0.5 OUTLIER -54.07 -16.18 1.84 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.463 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -71.15 -42.56 69.0 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.483 1.115 . . . . 0.0 110.313 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.543 ' O ' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -48.21 -69.26 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 110.352 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.469 ' C ' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -34.98 -54.77 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.434 ' HB2' ' O ' ' A' ' 10' ' ' GLU . 26.3 mm-40 -49.11 -46.78 45.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 110.349 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.543 ' N ' ' O ' ' A' ' 11' ' ' GLU . 37.7 mmtt -60.62 -31.53 70.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.403 ' NE2' ' CG ' ' A' ' 11' ' ' GLU . 2.6 m-70 -94.36 59.61 2.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.099 . . . . 0.0 109.577 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -110.07 24.87 12.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.522 1.139 . . . . 0.0 109.35 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -135.09 168.27 19.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.9 t -56.94 -48.19 78.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.573 1.171 . . . . 0.0 110.004 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -44.32 -44.68 8.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.8 p -139.08 98.76 3.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 110.052 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.4 m -109.7 112.69 24.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 110.381 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.418 ' O ' ' C ' ' A' ' 50' ' ' ALA . 9.1 m0 -119.33 157.68 27.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 0.0 108.0 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.483 ' CG1' ' HB2' ' A' ' 30' ' ' TYR . 13.7 p -154.53 120.75 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.367 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.4 mt -69.53 106.23 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.581 HD21 ' CD2' ' A' ' 30' ' ' TYR . 0.5 OUTLIER -115.88 120.59 39.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.571 ' O ' ' CG ' ' A' ' 27' ' ' HIS . 0.0 OUTLIER 40.1 60.62 1.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.611 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.571 ' CG ' ' O ' ' A' ' 26' ' ' HIS . 12.8 p80 50.65 48.41 22.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.585 1.178 . . . . 0.0 109.653 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 27' ' ' HIS . 0.9 OUTLIER -166.01 107.74 0.74 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.421 1.076 . . . . 0.0 109.279 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.8 m -64.85 143.0 16.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.585 ' CE2' ' HB2' ' A' ' 71' ' ' SER . 3.2 m-30 -117.72 110.93 18.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.409 ' HA ' ' CD1' ' A' ' 22' ' ' TRP . 17.6 t0 -77.73 78.58 4.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 109.244 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.409 ' CD2' HG13 ' A' ' 23' ' ' VAL . 1.0 OUTLIER -98.24 46.59 1.0 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 97.6 m -67.93 -49.9 59.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.568 1.167 . . . . 0.0 110.392 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.56 -35.74 73.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.565 ' HB2' ' CZ ' ' A' ' 74' ' ' TYR . 80.7 t80 -89.96 18.54 5.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 111.039 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -77.2 -46.7 22.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -89.94 -7.44 54.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.26 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -88.56 -25.48 22.48 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.468 ' CB ' HD12 ' A' ' 46' ' ' LEU . 5.1 t-160 -50.07 123.04 15.35 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.575 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.432 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.5 Cg_endo -74.99 -31.72 5.99 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.533 1.807 . . . . 0.0 111.007 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.17 -64.52 3.84 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.466 1.104 . . . . 0.0 111.015 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.06 149.1 10.47 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -91.14 -19.24 23.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.415 0.715 . . . . 0.0 110.262 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 48' ' ' GLU . 2.2 tt0 -86.15 -53.88 4.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 44' ' ' GLU . 0.2 OUTLIER -39.87 -29.32 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.468 HD12 ' CB ' ' A' ' 39' ' ' HIS . 1.6 mt -82.55 -58.05 3.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 109.264 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.463 ' O ' ' C ' ' A' ' 48' ' ' GLU . 5.9 mtt180 -60.63 -55.56 31.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.299 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 44' ' ' GLU . 13.2 tt0 -33.8 -46.07 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.252 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -131.31 47.75 2.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.334 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 22' ' ' TRP . . . -67.99 -91.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.434 ' CA ' ' HB ' ' A' ' 12' ' ' ILE . . . -41.17 -31.18 0.5 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.398 1.061 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 51' ' ' GLY . . . -60.13 -137.48 0.01 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.598 0.822 . . . . 0.0 111.049 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.9 p-10 -135.76 113.25 10.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 0.76 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -112.75 26.23 10.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.42 1.075 . . . . 0.0 109.351 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.443 ' O ' ' HB3' ' A' ' 58' ' ' PHE . 16.9 m -50.15 -71.54 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 110.389 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.458 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 1.6 mm-40 -58.72 -43.58 90.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.27 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -55.92 -22.53 26.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.481 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 0.2 OUTLIER -93.45 -39.74 10.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -76.05 -35.2 59.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.364 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.458 ' HB2' ' O ' ' A' ' 56' ' ' GLU . 7.6 t0 -59.55 -44.17 93.33 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.471 1.107 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.49 ' CG2' ' CE1' ' A' ' 63' ' ' HIS . 5.2 m -69.52 -16.0 20.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.474 1.109 . . . . 0.0 109.214 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 56.49 85.71 0.03 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.458 1.099 . . . . 0.0 111.02 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.49 ' CE1' ' CG2' ' A' ' 61' ' ' VAL . 32.2 m80 -69.92 139.68 52.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 0.783 . . . . 0.0 109.585 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 p -80.19 170.02 17.0 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.531 1.144 . . . . 0.0 109.962 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -52.16 -44.81 64.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.4 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.93 -41.21 3.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.621 1.2 . . . . 0.0 109.334 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.42 -44.36 78.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 65' ' ' THR . 0.0 OUTLIER -42.81 -42.95 3.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.272 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -68.22 -55.02 13.74 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.445 1.091 . . . . 0.0 110.314 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.462 ' O ' ' C ' ' A' ' 71' ' ' SER . 0.9 OUTLIER -54.24 -66.09 0.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.585 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 6.7 p -33.91 -56.34 0.47 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.1 . . . . 0.0 109.955 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.2 mtmm -57.31 -51.51 69.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.234 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.7 OUTLIER -58.02 -32.02 67.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.424 1.078 . . . . 0.0 110.388 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.565 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 48.6 m-85 -100.12 41.02 1.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 4.4 tt -116.13 140.08 39.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.461 HG12 ' N ' ' A' ' 77' ' ' GLY . 0.2 OUTLIER -123.94 -38.24 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.276 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.461 ' N ' HG12 ' A' ' 76' ' ' ILE . . . 171.35 -169.4 42.46 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.53 1.144 . . . . 0.0 111.029 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -114.86 170.13 8.56 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.48 0.753 . . . . 0.0 110.343 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.456 ' C ' ' CD2' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -102.79 149.34 24.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.338 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.436 ' N ' ' O ' ' A' ' 7' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.551 1.157 . . . . 0.0 109.561 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.245 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -101.17 113.68 26.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 110.959 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.519 ' CZ ' ' HB3' ' A' ' 5' ' ' LYS . 20.6 m-85 -104.72 149.7 25.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 111.043 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.2 p -77.27 151.33 35.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 110.424 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.418 ' O ' HG12 ' A' ' 12' ' ' ILE . 0.7 OUTLIER -57.34 -16.0 7.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.449 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -70.47 -42.84 70.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.483 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.1 OUTLIER -49.62 -70.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.483 ' C ' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -33.13 -57.86 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.579 1.174 . . . . 0.0 109.26 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.42 ' HB2' ' O ' ' A' ' 10' ' ' GLU . 2.9 mm-40 -44.1 -52.47 7.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 11' ' ' GLU . 59.8 mmtt -56.39 -43.35 79.2 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.218 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.474 ' NE2' ' CG ' ' A' ' 11' ' ' GLU . 2.4 m-70 -78.57 56.55 1.83 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.553 1.158 . . . . 0.0 109.61 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -109.99 23.93 13.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -136.66 170.05 16.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.509 ' O ' ' CG2' ' A' ' 33' ' ' THR . 45.1 m -56.89 -48.64 77.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.003 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -41.68 -47.78 4.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.436 ' O ' ' CA ' ' A' ' 15' ' ' HIS . 23.8 m -139.97 100.77 4.01 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.47 1.106 . . . . 0.0 109.972 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.6 m -109.36 112.38 24.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.427 1.079 . . . . 0.0 110.423 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.433 ' O ' ' C ' ' A' ' 50' ' ' ALA . 12.6 m0 -117.81 159.6 22.77 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.4 p -160.07 120.13 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 109.212 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -63.99 123.23 16.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.547 1.154 . . . . 0.0 109.33 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.581 HD21 ' CD2' ' A' ' 30' ' ' TYR . 1.8 mp -135.06 114.65 12.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.386 1.054 . . . . 0.0 109.338 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.529 ' CE1' ' CE1' ' A' ' 58' ' ' PHE . 0.1 OUTLIER 42.81 51.9 5.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.614 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 59.2 m80 56.51 53.23 8.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.564 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.434 ' HE3' ' CD1' ' A' ' 75' ' ' ILE . 0.0 OUTLIER -170.09 97.7 0.28 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.463 ' CG1' ' HB3' ' A' ' 79' ' ' LEU . 6.9 m -57.17 140.96 14.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 109.243 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.604 ' CE2' ' HB3' ' A' ' 71' ' ' SER . 4.5 m-30 -116.48 106.47 13.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.117 . . . . 0.0 111.042 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -77.31 76.0 3.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 109.322 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 36' ' ' LEU . 0.8 OUTLIER -91.34 41.64 1.07 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.153 . . . . 0.0 109.33 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.509 ' CG2' ' O ' ' A' ' 18' ' ' SER . 10.4 m -61.54 -49.57 76.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.404 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.6 ttmm -69.16 -39.44 78.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 0.0 109.302 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.539 ' HB2' ' CZ ' ' A' ' 74' ' ' TYR . 90.0 t80 -90.13 17.09 7.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 110.974 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 32' ' ' LEU . 1.7 tm? -71.34 -49.91 37.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.416 ' N ' HD11 ' A' ' 36' ' ' LEU . 1.3 pt-20 -89.19 -9.01 52.47 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.505 1.128 . . . . 0.0 110.28 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.26 -23.83 30.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.331 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.583 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 4.7 t-160 -50.0 126.58 19.98 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.52 1.137 . . . . 0.0 109.661 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.583 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.2 Cg_endo -74.99 -29.91 7.74 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.503 1.791 . . . . 0.0 111.034 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.62 -68.24 1.73 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.51 1.131 . . . . 0.0 111.015 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.06 150.21 11.5 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -86.86 -23.42 25.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 0.776 . . . . 0.0 110.275 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 48' ' ' GLU . 1.3 tp10 -80.37 -54.36 5.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.294 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' A' ' 44' ' ' GLU . 0.2 OUTLIER -39.9 -29.57 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.157 . . . . 0.0 109.319 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.448 ' N ' ' C ' ' A' ' 44' ' ' GLU . 1.1 mt -84.04 -60.19 2.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.457 ' O ' ' C ' ' A' ' 48' ' ' GLU . 56.7 mtm180 -57.17 -57.16 13.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 110.257 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 44' ' ' GLU . 0.4 OUTLIER -33.91 -44.9 0.18 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.562 1.164 . . . . 0.0 110.314 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -128.7 49.04 2.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.303 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 22' ' ' TRP . . . -71.72 -94.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.454 ' O ' ' O ' ' A' ' 52' ' ' GLY . . . -34.85 -36.56 0.08 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.522 1.139 . . . . 0.0 111.055 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.454 ' O ' ' O ' ' A' ' 51' ' ' GLY . . . -58.3 -140.98 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 26.1 p-10 -138.1 113.33 9.34 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.478 0.752 . . . . 0.0 109.237 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -110.72 27.18 9.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.5 m -51.72 -61.49 2.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 110.377 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -63.36 -44.08 95.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 110.281 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -60.02 -21.05 60.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.529 ' CE1' ' CE1' ' A' ' 26' ' ' HIS . 0.3 OUTLIER -90.77 -39.94 12.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 111.055 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -77.28 -36.63 54.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.223 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -56.7 -44.57 81.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.475 ' CG2' ' CE1' ' A' ' 63' ' ' HIS . 5.9 m -69.2 -16.11 20.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 58.4 85.13 0.04 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.567 1.167 . . . . 0.0 111.0 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.475 ' CE1' ' CG2' ' A' ' 61' ' ' VAL . 30.0 m80 -69.99 139.45 52.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 0.779 . . . . 0.0 109.623 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -80.82 169.93 16.94 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.426 1.079 . . . . 0.0 109.981 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -50.77 -47.49 59.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.329 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 65' ' ' THR . 0.2 OUTLIER -40.54 -42.14 1.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.35 -47.81 72.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.352 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 65' ' ' THR . 18.3 ttt180 -40.45 -47.44 2.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -63.7 -53.44 51.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.379 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.49 ' O ' ' C ' ' A' ' 71' ' ' SER . 2.3 mp -55.89 -67.61 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.604 ' HB3' ' CE2' ' A' ' 30' ' ' TYR . 46.8 m -31.59 -58.69 0.26 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 110.011 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.94 -53.69 52.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.582 1.176 . . . . 0.0 109.252 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.467 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.7 OUTLIER -56.62 -32.27 65.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.6 1.188 . . . . 0.0 110.386 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.539 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 56.1 m-85 -99.81 42.04 1.13 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.434 ' CD1' ' HE3' ' A' ' 28' ' ' LYS . 6.2 tt -117.85 140.51 40.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.363 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.479 HG12 ' N ' ' A' ' 77' ' ' GLY . 0.2 OUTLIER -124.11 -39.12 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.899 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.479 ' N ' HG12 ' A' ' 76' ' ' ILE . . . 174.03 -171.37 44.47 Favored Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.475 1.11 . . . . 0.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -112.04 170.04 8.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 0.787 . . . . 0.0 110.314 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.544 ' C ' ' CD1' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -107.11 152.9 23.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.27 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.509 ' N ' HD22 ' A' ' 79' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.542 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.56 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -99.86 105.97 17.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.56 ' CE1' ' HB3' ' A' ' 5' ' ' LYS . 17.8 m-85 -94.44 150.2 20.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.123 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.8 p -77.42 148.63 35.37 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.132 . . . . 0.0 110.386 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.404 ' O ' HG12 ' A' ' 12' ' ' ILE . 0.4 OUTLIER -54.16 -18.92 4.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 109.362 179.91 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.415 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 1.0 OUTLIER -71.89 -39.14 69.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.337 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.492 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -48.73 -71.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.573 1.171 . . . . 0.0 110.252 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.492 ' C ' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -33.41 -57.86 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.357 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -43.15 -52.91 5.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 110.333 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 11' ' ' GLU . 25.3 mmtt -52.97 -36.42 60.14 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.446 ' N ' ' O ' ' A' ' 12' ' ' ILE . 3.2 m-70 -91.77 59.45 3.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.632 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -109.27 14.88 23.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.34 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -122.2 169.9 10.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.12 -44.12 95.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.988 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.431 ' O ' ' CG2' ' A' ' 33' ' ' THR . 0.0 OUTLIER -49.42 -42.43 42.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.426 1.079 . . . . 0.0 109.305 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 15' ' ' HIS . 27.6 m -137.74 97.03 3.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 110.074 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 m -109.12 114.14 27.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.389 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.454 ' CD1' ' HA ' ' A' ' 31' ' ' ASP . 8.4 m0 -119.19 160.82 21.43 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.604 1.19 . . . . 0.0 107.969 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.47 HG12 ' CD2' ' A' ' 32' ' ' LEU . 7.2 p -159.93 117.91 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.239 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 15.6 mt -67.09 120.61 14.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.584 HD21 ' CD2' ' A' ' 30' ' ' TYR . 1.4 mp -128.82 123.3 32.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.571 ' CE1' ' HB3' ' A' ' 25' ' ' LEU . 0.1 OUTLIER 37.98 54.34 1.62 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.599 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 78.2 m-70 57.6 51.25 9.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.62 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -169.97 110.2 0.41 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.453 HG22 ' CD1' ' A' ' 76' ' ' ILE . 9.1 m -68.06 142.14 16.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.369 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.605 ' CE2' ' HB2' ' A' ' 71' ' ' SER . 4.7 m-30 -116.72 104.62 11.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 110.965 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.498 ' CG ' ' CG2' ' A' ' 76' ' ' ILE . 18.1 p-10 -72.92 76.38 1.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.47 ' CD2' HG12 ' A' ' 23' ' ' VAL . 0.5 OUTLIER -94.74 43.17 1.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.346 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.431 ' CG2' ' O ' ' A' ' 19' ' ' LYS . 77.5 m -65.93 -46.36 78.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.485 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -69.33 -42.44 75.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 109.256 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.544 ' HB2' ' CZ ' ' A' ' 74' ' ' TYR . 93.4 t80 -89.92 23.08 2.89 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.464 1.103 . . . . 0.0 111.077 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.401 ' C ' ' CD1' ' A' ' 36' ' ' LEU . 1.1 tm? -74.69 -47.95 28.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -90.07 -9.44 48.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 0.0 110.348 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.455 ' HB3' ' CD1' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -84.18 -23.29 30.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.319 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.579 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 5.3 t-160 -50.33 125.94 20.8 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.632 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.579 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.2 Cg_endo -75.07 -29.35 8.21 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.489 1.784 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.9 -67.01 2.16 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.483 1.114 . . . . 0.0 110.994 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.1 149.47 10.8 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -87.97 -19.74 26.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.526 ' O ' ' N ' ' A' ' 48' ' ' GLU . 3.1 mm-40 -84.13 -54.01 5.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 110.271 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 44' ' ' GLU . 0.2 OUTLIER -40.19 -28.48 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.467 ' N ' ' C ' ' A' ' 44' ' ' GLU . 0.8 OUTLIER -85.74 -60.14 2.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.461 ' O ' ' C ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -59.41 -57.04 14.74 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.506 1.129 . . . . 0.0 110.27 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.526 ' N ' ' O ' ' A' ' 44' ' ' GLU . 3.6 tt0 -33.91 -45.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.36 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -131.47 48.22 2.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.432 1.082 . . . . 0.0 110.241 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 52' ' ' GLY . . . -69.41 -94.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.232 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.458 ' CA ' ' HB ' ' A' ' 12' ' ' ILE . . . -36.67 -32.64 0.06 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.537 1.148 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 50' ' ' ALA . . . -60.09 -140.49 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -131.28 114.7 15.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 0.744 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.412 ' HB1' ' CG2' ' A' ' 23' ' ' VAL . . . -115.48 22.55 13.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.38 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.8 m -52.37 -61.37 2.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.418 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -64.75 -41.03 96.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.098 . . . . 0.0 110.278 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -63.52 -16.96 62.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.285 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.567 ' CD2' HD23 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -95.5 -40.16 9.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -78.73 -35.44 44.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.254 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -58.54 -43.5 89.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.472 ' CG2' ' CE1' ' A' ' 63' ' ' HIS . 5.9 m -69.54 -17.1 21.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 59.28 85.22 0.04 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.578 1.174 . . . . 0.0 111.04 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.472 ' CE1' ' CG2' ' A' ' 61' ' ' VAL . 31.6 m80 -70.46 139.98 51.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 0.775 . . . . 0.0 109.575 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.29 169.99 17.01 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.528 1.143 . . . . 0.0 110.029 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.423 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -51.88 -46.11 64.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 110.373 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -42.05 -39.6 1.99 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 109.257 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.86 -47.42 65.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 65' ' ' THR . 2.1 tpp180 -40.31 -41.88 1.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 110.273 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -69.84 -56.74 6.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.319 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.462 ' O ' ' C ' ' A' ' 71' ' ' SER . 1.1 mp -52.43 -65.56 0.54 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.122 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.605 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 8.5 p -34.15 -56.91 0.49 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 109.945 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -56.33 -51.44 68.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.362 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -58.67 -31.98 68.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.379 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.544 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 47.9 m-85 -100.17 42.36 1.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 111.015 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.0 tt -116.44 139.93 40.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.275 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.498 ' CG2' ' CG ' ' A' ' 31' ' ' ASP . 0.2 OUTLIER -122.61 -36.38 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.508 1.13 . . . . 0.0 109.34 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.407 ' N ' HG12 ' A' ' 76' ' ' ILE . . . 172.08 -166.05 38.83 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.395 1.059 . . . . 0.0 110.986 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 5' ' ' LYS . 3.0 pt-20 -119.15 168.38 10.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 0.76 . . . . 0.0 110.322 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.515 HD23 ' C ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -101.58 154.15 19.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.345 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.465 ' O ' HD23 ' A' ' 79' ' ' LEU . 3.6 t-160 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.563 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -99.47 109.06 21.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 111.034 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -94.27 151.36 19.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.545 1.153 . . . . 0.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.7 p -80.68 145.88 31.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -52.31 -21.01 3.08 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.421 1.076 . . . . 0.0 109.333 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.46 -33.88 76.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 110.333 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.501 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -59.89 -77.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 110.304 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.501 ' C ' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -32.91 -42.34 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 109.279 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.421 ' O ' ' HB2' ' A' ' 16' ' ' LYS . 2.9 mm100 -56.69 -60.2 3.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.3 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 11' ' ' GLU . 1.1 ptpm? -66.27 -10.85 46.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 75.3 m-70 -104.24 47.87 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.611 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 13' ' ' GLN . 0.0 OUTLIER -110.12 16.98 21.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.76 168.82 9.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.276 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.09 -44.67 97.01 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.52 1.137 . . . . 0.0 109.985 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -43.25 -49.54 6.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.0 m -139.71 96.57 3.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.998 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.8 m -99.8 112.64 24.88 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.597 1.186 . . . . 0.0 110.374 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.4 ' O ' ' C ' ' A' ' 50' ' ' ALA . 13.8 m0 -117.34 157.99 25.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 107.981 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.407 ' CG1' ' HB2' ' A' ' 30' ' ' TYR . 7.2 p -156.78 123.14 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 24.1 mt -69.27 112.34 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.577 HD21 ' CD2' ' A' ' 30' ' ' TYR . 1.0 OUTLIER -123.6 133.21 53.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.518 ' CE1' ' HB3' ' A' ' 25' ' ' LEU . 0.0 OUTLIER 36.46 40.6 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.609 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.42 ' HB2' ' O ' ' A' ' 26' ' ' HIS . 32.9 m-70 68.36 51.59 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.654 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 25' ' ' LEU . 4.2 ptmt -170.19 126.48 0.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.47 HG22 ' CD1' ' A' ' 76' ' ' ILE . 16.8 m -73.39 141.96 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.365 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.609 ' CE2' ' HB3' ' A' ' 71' ' ' SER . 3.1 m-30 -117.73 104.89 11.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 0.0 111.022 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -74.16 77.14 1.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.236 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 36' ' ' LEU . 0.8 OUTLIER -94.6 37.74 1.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.273 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 59.3 m -58.99 -53.21 61.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 110.434 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.06 -38.42 85.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.563 ' HB2' ' CZ ' ' A' ' 74' ' ' TYR . 74.0 t80 -89.98 17.09 7.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.113 . . . . 0.0 111.014 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 32' ' ' LEU . 2.2 tm? -72.53 -46.72 53.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.257 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.71 -9.83 47.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.26 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -84.15 -21.34 31.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 0.0 110.272 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.551 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 5.3 t-160 -49.97 124.76 17.25 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.397 1.061 . . . . 0.0 109.58 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.551 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.2 Cg_endo -75.04 -30.61 6.92 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.544 1.813 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.63 -65.99 2.58 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.578 1.174 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -173.98 147.81 9.6 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -86.5 -11.35 51.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 0.775 . . . . 0.0 110.308 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.483 ' O ' ' N ' ' A' ' 48' ' ' GLU . 14.1 tt0 -93.4 -53.06 4.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.593 1.183 . . . . 0.0 110.332 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 44' ' ' GLU . 0.2 OUTLIER -39.99 -28.99 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.498 HD12 ' CB ' ' A' ' 39' ' ' HIS . 0.6 OUTLIER -82.94 -61.48 1.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.447 ' O ' ' C ' ' A' ' 48' ' ' GLU . 30.5 mtm180 -56.49 -54.82 41.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.299 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 44' ' ' GLU . 18.9 tp10 -34.5 -45.23 0.23 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.093 . . . . 0.0 110.351 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -131.76 46.93 2.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 110.342 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 46' ' ' LEU . . . -67.07 -91.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.485 1.115 . . . . 0.0 109.346 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 52' ' ' GLY . . . -41.95 -32.22 0.95 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 51' ' ' GLY . . . -59.6 -142.39 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -128.68 111.24 12.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 0.768 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -112.84 25.7 11.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.0 m -52.69 -68.86 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.381 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -61.35 -38.95 88.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -62.48 -19.33 63.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.564 ' CD2' HD23 ' A' ' 25' ' ' LEU . 0.8 OUTLIER -96.12 -39.97 9.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 111.065 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -78.15 -34.56 49.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.538 1.149 . . . . 0.0 110.278 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -59.11 -43.29 91.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.488 ' CG2' ' CE1' ' A' ' 63' ' ' HIS . 6.0 m -69.73 -16.15 20.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 58.01 85.28 0.03 OUTLIER Glycine 0 CA--C 1.532 1.113 0 O-C-N 124.454 1.097 . . . . 0.0 110.933 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.488 ' CE1' ' CG2' ' A' ' 61' ' ' VAL . 31.4 m80 -69.97 139.99 52.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 0.785 . . . . 0.0 109.6 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.5 m -80.08 170.07 16.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.031 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -51.86 -45.67 64.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.406 -179.938 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -41.88 -41.23 2.36 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.478 1.111 . . . . 0.0 109.339 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.69 -45.73 74.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 65' ' ' THR . 0.0 OUTLIER -40.96 -45.8 2.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.326 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -65.61 -55.27 18.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 110.35 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.522 HD22 ' CE1' ' A' ' 35' ' ' TYR . 0.6 OUTLIER -54.88 -67.22 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.237 -179.93 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.609 ' HB3' ' CE2' ' A' ' 30' ' ' TYR . 56.8 m -30.14 -59.2 0.18 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.536 1.147 . . . . 0.0 109.965 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.11 -57.02 14.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 0.0 109.293 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.7 OUTLIER -51.89 -31.99 30.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 110.457 179.898 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.563 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 50.6 m-85 -100.1 38.15 1.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 111.035 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.461 HG12 ' CE1' ' A' ' 30' ' ' TYR . 0.4 OUTLIER -115.12 139.77 39.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.628 1.205 . . . . 0.0 109.248 -179.897 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.477 HG12 ' N ' ' A' ' 77' ' ' GLY . 0.2 OUTLIER -122.25 -38.09 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.477 ' N ' HG12 ' A' ' 76' ' ' ILE . . . 177.41 -157.66 22.5 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.499 1.124 . . . . 0.0 111.039 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -126.61 168.43 14.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.777 . . . . 0.0 110.297 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.536 ' O ' ' CD1' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -104.8 146.04 29.53 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.565 1.165 . . . . 0.0 109.362 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.477 ' N ' HD23 ' A' ' 79' ' ' LEU . 4.3 t-160 . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 0.0 109.613 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.486 ' HB3' ' CZ ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.4 ' HA ' ' O ' ' A' ' 78' ' ' GLU . 28.1 m-85 -101.0 101.44 12.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 111.026 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.486 ' CZ ' ' HB3' ' A' ' 5' ' ' LYS . 23.2 m-85 -89.72 146.21 24.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.597 1.186 . . . . 0.0 110.978 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.2 p -69.85 151.18 46.01 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.501 1.126 . . . . 0.0 110.439 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.418 ' O ' HG12 ' A' ' 12' ' ' ILE . 0.5 OUTLIER -57.72 -14.73 6.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.572 1.17 . . . . 0.0 109.338 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.427 ' O ' ' HB2' ' A' ' 13' ' ' GLN . 3.0 tt0 -72.39 -42.42 65.21 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.573 1.171 . . . . 0.0 110.275 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.486 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -48.58 -69.62 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.249 -179.928 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.486 ' C ' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -33.81 -53.09 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.362 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.427 ' HB2' ' O ' ' A' ' 10' ' ' GLU . 15.8 mm-40 -52.24 -53.67 40.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 11' ' ' GLU . 69.5 mmtt -52.21 -36.34 51.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.471 ' NE2' ' CG ' ' A' ' 11' ' ' GLU . 2.6 m-70 -87.32 58.35 4.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 109.548 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.99 31.67 5.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 109.331 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -143.44 161.51 38.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.342 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.1 m -50.14 -48.95 53.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 110.007 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.403 ' O ' ' CG2' ' A' ' 33' ' ' THR . 0.0 OUTLIER -43.65 -47.27 7.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.567 1.167 . . . . 0.0 109.283 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.1 p -138.03 99.1 3.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.006 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.6 m -110.82 112.15 23.81 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.433 1.083 . . . . 0.0 110.443 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.419 ' O ' ' C ' ' A' ' 50' ' ' ALA . 10.4 m0 -117.97 161.26 20.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 108.059 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.466 ' CG1' ' HB2' ' A' ' 30' ' ' TYR . 10.9 p -158.42 123.83 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 32.0 mt -71.54 110.96 4.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.612 HD21 ' CD2' ' A' ' 30' ' ' TYR . 2.3 mp -121.78 132.49 54.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.431 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 24.3 m80 37.27 39.9 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.592 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.431 ' HB2' ' O ' ' A' ' 26' ' ' HIS . 62.9 m170 68.97 52.22 0.52 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.548 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.519 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 2.7 ptmt -170.03 127.45 0.86 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.465 ' CG2' HD11 ' A' ' 76' ' ' ILE . 18.3 m -74.68 142.06 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.612 ' CD2' HD21 ' A' ' 25' ' ' LEU . 2.9 m-30 -116.86 106.95 14.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.977 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -73.76 76.15 1.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.342 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 pp -95.85 39.21 1.14 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.403 ' CG2' ' O ' ' A' ' 19' ' ' LYS . 58.3 m -61.73 -49.59 75.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.409 1.068 . . . . 0.0 110.444 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.67 -37.87 73.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.554 ' HB2' ' CZ ' ' A' ' 74' ' ' TYR . 75.7 t80 -90.02 20.37 4.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.12 . . . . 0.0 110.949 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.432 ' C ' ' CD1' ' A' ' 36' ' ' LEU . 1.3 tm? -76.98 -47.3 21.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.35 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.412 ' N ' HD11 ' A' ' 36' ' ' LEU . 3.1 pt-20 -89.52 -7.19 55.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.431 1.082 . . . . 0.0 110.309 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.73 -22.42 24.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.239 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.541 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 5.4 t-160 -50.08 124.78 17.76 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 109.603 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.541 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.3 Cg_endo -74.92 -30.95 6.76 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.492 1.785 . . . . 0.0 110.987 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.18 -66.42 2.46 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.459 1.099 . . . . 0.0 111.027 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -173.91 149.65 11.07 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.72 -19.01 28.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 0.786 . . . . 0.0 110.268 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.504 ' O ' ' N ' ' A' ' 48' ' ' GLU . 2.7 mt-10 -84.8 -53.55 5.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.306 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 44' ' ' GLU . 0.2 OUTLIER -40.11 -28.83 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 0.0 109.317 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.473 HD12 ' CB ' ' A' ' 39' ' ' HIS . 0.8 OUTLIER -84.75 -61.3 1.82 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 0.0 109.353 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.458 ' O ' ' C ' ' A' ' 48' ' ' GLU . 9.6 mtm180 -57.82 -57.38 13.01 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.336 1.023 . . . . 0.0 110.308 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' A' ' 44' ' ' GLU . 0.7 OUTLIER -34.19 -45.08 0.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.289 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -133.57 53.25 2.02 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.475 1.109 . . . . 0.0 110.228 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 46' ' ' LEU . . . -73.01 -91.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.447 ' CA ' ' HB ' ' A' ' 12' ' ' ILE . . . -42.97 -28.71 0.75 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.448 1.092 . . . . 0.0 110.954 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 51' ' ' GLY . . . -59.86 -136.7 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -132.76 110.79 10.62 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.438 0.729 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 58' ' ' PHE . . . -115.36 16.35 16.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.25 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.0 m -49.97 -58.74 4.84 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.132 . . . . 0.0 110.374 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.58 -41.15 80.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.154 . . . . 0.0 110.284 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -65.96 -13.36 59.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.798 ' CD1' ' CE1' ' A' ' 63' ' ' HIS . 77.3 t80 -98.76 -40.03 8.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 111.031 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -81.09 -35.53 31.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 110.246 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -56.7 -42.63 79.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.472 ' CG2' ' CE1' ' A' ' 63' ' ' HIS . 7.8 m -67.54 -18.52 23.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 62.81 84.02 0.07 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.421 1.076 . . . . 0.0 110.981 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.798 ' CE1' ' CD1' ' A' ' 58' ' ' PHE . 32.6 m80 -71.62 140.07 49.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 0.795 . . . . 0.0 109.63 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.22 169.62 17.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.014 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -50.97 -47.41 61.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.465 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 65' ' ' THR . 0.1 OUTLIER -40.67 -42.56 1.75 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 109.324 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.14 -48.16 71.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 65' ' ' THR . 25.6 ttt180 -40.07 -46.66 2.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -64.89 -54.77 25.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 110.275 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.493 HD22 ' CE1' ' A' ' 35' ' ' TYR . 0.9 OUTLIER -54.31 -67.83 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.368 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.586 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 5.0 p -32.82 -57.31 0.37 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.96 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.7 tttt -56.19 -52.44 64.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.463 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -57.35 -31.71 66.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.46 179.909 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.554 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 49.8 m-85 -99.64 38.78 1.39 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.44 1.088 . . . . 0.0 111.031 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -115.21 140.61 35.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.465 HD11 ' CG2' ' A' ' 29' ' ' VAL . 0.2 OUTLIER -122.72 -38.71 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.172 . . . . 0.0 109.281 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.465 ' N ' HG12 ' A' ' 76' ' ' ILE . . . 175.19 -162.21 31.75 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.469 1.106 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.419 ' O ' ' O ' ' A' ' 5' ' ' LYS . 1.9 mt-10 -122.34 169.7 10.68 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.53 0.782 . . . . 0.0 110.342 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.454 HD11 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -104.18 150.25 24.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.35 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.449 ' N ' HD23 ' A' ' 79' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.56 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.58 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -101.04 103.82 14.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 111.001 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.58 ' CE1' ' HB3' ' A' ' 5' ' ' LYS . 16.9 m-85 -92.0 146.15 23.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.421 ' C ' ' N ' ' A' ' 10' ' ' GLU . 1.2 p -71.62 146.6 48.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 110.416 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.433 ' O ' HG12 ' A' ' 12' ' ' ILE . 0.4 OUTLIER -52.89 -18.07 1.74 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.444 1.09 . . . . 0.0 109.208 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.438 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -70.86 -40.55 72.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.277 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.499 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -49.04 -71.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.335 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.499 ' C ' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -32.04 -55.12 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 179.905 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.416 ' HB2' ' O ' ' A' ' 10' ' ' GLU . 18.7 mm-40 -48.92 -55.71 10.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 11' ' ' GLU . 67.9 mmtt -49.43 -35.52 19.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.568 1.167 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.496 ' CA ' ' O ' ' A' ' 20' ' ' SER . 2.7 m-70 -90.98 55.07 2.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 109.57 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.95 25.3 11.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -135.39 164.07 28.6 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.44 1.087 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 19' ' ' LYS . 0.4 OUTLIER -51.62 -50.93 59.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.43 1.081 . . . . 0.0 109.962 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.462 ' O ' ' CG2' ' A' ' 33' ' ' THR . 12.3 mmtt -39.97 -51.32 2.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.496 ' O ' ' CA ' ' A' ' 15' ' ' HIS . 11.6 m -139.94 101.92 4.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.023 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.9 m -112.17 116.09 29.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 110.416 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.42 ' O ' ' C ' ' A' ' 50' ' ' ALA . 10.0 m0 -115.52 163.33 15.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 108.057 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.457 HG12 ' CD2' ' A' ' 32' ' ' LEU . 7.6 p -158.41 124.75 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 20.1 mt -71.11 121.91 22.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.568 HD21 ' CD2' ' A' ' 30' ' ' TYR . 2.2 mp -132.91 133.19 42.92 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.44 ' C ' ' O ' ' A' ' 25' ' ' LEU . 17.3 m80 36.82 39.76 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.607 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.2 m170 69.6 51.36 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.586 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.569 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -170.15 131.29 0.99 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.467 HG22 ' CD1' ' A' ' 76' ' ' ILE . 16.3 m -77.15 142.85 13.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.441 1.088 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.586 ' CE2' ' HB2' ' A' ' 71' ' ' SER . 2.5 m-30 -118.27 104.91 11.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.92 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -73.2 80.34 1.29 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 36' ' ' LEU . 0.6 OUTLIER -98.68 28.33 4.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.096 . . . . 0.0 109.307 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.462 ' CG2' ' O ' ' A' ' 19' ' ' LYS . 69.8 m -50.07 -49.81 50.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.414 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm -68.47 -41.59 79.93 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.589 ' CD2' ' O ' ' A' ' 35' ' ' TYR . 83.1 t80 -89.95 25.51 2.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 32' ' ' LEU . 2.0 tm? -82.08 -47.98 11.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.24 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -89.98 -6.76 55.3 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.471 1.107 . . . . 0.0 110.302 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -89.89 -21.58 22.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.306 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.506 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 6.3 t-160 -49.97 123.6 15.79 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.606 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.506 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.3 Cg_endo -75.03 -33.05 4.84 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.447 1.761 . . . . 0.0 110.947 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.18 -65.04 3.32 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.514 1.134 . . . . 0.0 111.063 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.403 ' HA3' HG12 ' A' ' 45' ' ' VAL . . . -174.18 148.68 10.11 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -88.92 -36.7 15.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 0.775 . . . . 0.0 110.297 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.527 ' O ' ' N ' ' A' ' 48' ' ' GLU . 1.9 mm-40 -67.55 -54.15 22.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.308 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.403 HG12 ' HA3' ' A' ' 42' ' ' GLY . 0.2 OUTLIER -39.89 -29.2 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.439 1.087 . . . . 0.0 109.296 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.471 HD12 ' CB ' ' A' ' 39' ' ' HIS . 1.8 mt -85.28 -58.83 2.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.468 ' O ' ' C ' ' A' ' 48' ' ' GLU . 76.2 mtm-85 -60.47 -57.92 10.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.432 1.083 . . . . 0.0 110.291 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.527 ' N ' ' O ' ' A' ' 44' ' ' GLU . 39.5 tt0 -33.39 -45.25 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.087 . . . . 0.0 110.268 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -132.55 52.79 2.05 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.47 1.106 . . . . 0.0 110.333 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 22' ' ' TRP . . . -71.79 -92.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.41 ' CA ' ' HB ' ' A' ' 12' ' ' ILE . . . -39.51 -30.76 0.19 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.16 -141.47 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -131.22 113.8 14.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 0.76 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 58' ' ' PHE . . . -115.31 20.85 14.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.5 m -50.58 -60.05 3.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.335 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.454 ' HA ' ' CG ' ' A' ' 59' ' ' GLU . 16.5 mm-40 -65.25 -42.21 93.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.355 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -65.68 -12.8 56.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.804 ' CD1' ' CE1' ' A' ' 63' ' ' HIS . 79.4 t80 -99.86 -41.05 7.4 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.448 1.093 . . . . 0.0 111.037 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.454 ' CG ' ' HA ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -81.56 -29.89 33.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 110.302 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.434 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 59.9 t0 -62.11 -41.45 98.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.484 ' CG2' ' CE1' ' A' ' 63' ' ' HIS . 6.4 m -69.9 -17.67 21.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 62.31 85.45 0.05 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.53 1.143 . . . . 0.0 110.966 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' HIS . . . . . 0.804 ' CE1' ' CD1' ' A' ' 58' ' ' PHE . 36.3 m80 -72.73 140.02 47.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 0.723 . . . . 0.0 109.584 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.1 m -78.72 170.13 17.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.982 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 68' ' ' ARG . 0.9 OUTLIER -52.27 -46.7 65.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.366 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -41.55 -42.04 2.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.3 -46.87 75.47 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.592 1.182 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 65' ' ' THR . 0.0 OUTLIER -41.32 -44.71 2.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 110.281 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.63 -54.01 27.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.291 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.481 ' O ' ' C ' ' A' ' 71' ' ' SER . 0.8 OUTLIER -54.43 -68.52 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.586 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 2.3 p -31.85 -57.39 0.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 110.028 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.426 ' O ' ' CG2' ' A' ' 75' ' ' ILE . 0.6 OUTLIER -54.9 -54.6 40.52 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.462 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.7 OUTLIER -57.2 -30.69 64.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.345 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.53 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 48.6 m-85 -99.63 39.87 1.28 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.426 ' CG2' ' O ' ' A' ' 72' ' ' LYS . 5.3 tt -118.7 145.08 25.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.467 ' CD1' HG22 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -127.17 -38.63 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.465 ' N ' HG12 ' A' ' 76' ' ' ILE . . . 174.27 -167.7 40.19 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.481 1.113 . . . . 0.0 111.023 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -116.18 170.0 8.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.436 0.727 . . . . 0.0 110.334 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.493 ' C ' ' CD2' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -107.02 150.46 26.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.454 ' N ' HD23 ' A' ' 79' ' ' LEU . 3.9 t-160 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.577 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.45 ' CG1' ' CE1' ' A' ' 6' ' ' TYR . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.474 ' HB3' ' CZ ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -114.29 119.89 38.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.311 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.45 ' CE1' ' CG1' ' A' ' 4' ' ' VAL . 35.4 m-85 -100.59 113.52 26.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.474 ' CZ ' ' HB3' ' A' ' 5' ' ' LYS . 18.4 m-85 -102.79 148.99 24.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 110.978 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.401 ' C ' ' N ' ' A' ' 10' ' ' GLU . 0.4 OUTLIER -76.54 146.28 38.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.567 1.167 . . . . 0.0 110.359 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -53.47 -18.83 3.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.153 . . . . 0.0 109.331 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.401 ' N ' ' C ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -66.55 -31.04 71.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 110.334 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.514 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.1 OUTLIER -61.64 -75.75 0.07 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 110.257 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.514 ' C ' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -31.75 -44.87 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.241 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -55.0 -73.5 0.05 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.72 -22.35 5.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.365 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.451 ' CD2' ' CG ' ' A' ' 11' ' ' GLU . 74.0 m-70 -96.7 45.88 1.05 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.501 1.125 . . . . 0.0 109.6 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -109.98 24.3 13.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -119.38 169.3 10.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.27 -45.51 87.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.996 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -43.88 -52.84 6.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.2 m -135.69 95.92 3.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.015 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 m -98.61 112.45 24.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.102 . . . . 0.0 110.388 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.4 ' O ' ' C ' ' A' ' 50' ' ' ALA . 10.3 m0 -118.24 157.48 26.94 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.467 HG12 ' CD2' ' A' ' 32' ' ' LEU . 4.2 p -154.7 122.95 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.157 . . . . 0.0 109.248 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 16.9 mt -68.77 113.89 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 109.282 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.575 HD21 ' CD2' ' A' ' 30' ' ' TYR . 1.8 mp -124.87 118.48 26.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.55 ' O ' ' CG ' ' A' ' 27' ' ' HIS . 13.8 m80 39.9 61.44 1.47 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.604 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.55 ' CG ' ' O ' ' A' ' 26' ' ' HIS . 27.9 p80 50.66 51.21 17.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 109.695 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.96 113.2 0.48 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 109.227 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.421 ' CG2' HD11 ' A' ' 76' ' ' ILE . 10.8 m -71.27 141.94 16.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.596 ' CE2' ' HB2' ' A' ' 71' ' ' SER . 4.5 m-30 -116.84 109.99 17.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -79.52 77.04 6.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.467 ' CD2' HG12 ' A' ' 23' ' ' VAL . 0.6 OUTLIER -93.91 39.66 1.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.328 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 55.6 m -61.87 -49.62 75.53 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.416 1.073 . . . . 0.0 110.385 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.31 -41.71 84.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.531 ' HB2' ' CZ ' ' A' ' 74' ' ' TYR . 91.5 t80 -89.92 21.69 3.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 110.95 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.411 ' C ' ' CD1' ' A' ' 36' ' ' LEU . 1.9 tm? -74.98 -51.12 14.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -87.5 -9.23 55.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.301 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.03 -23.01 28.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.346 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.595 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 5.1 t-160 -49.91 126.55 19.44 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.568 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.595 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.0 Cg_endo -75.08 -28.83 8.71 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.555 1.819 . . . . 0.0 110.981 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.55 -68.31 1.7 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.48 1.112 . . . . 0.0 110.969 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.09 148.38 9.95 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -85.77 -18.44 32.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.781 . . . . 0.0 110.305 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 48' ' ' GLU . 7.7 tt0 -85.28 -54.1 4.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.415 1.072 . . . . 0.0 110.311 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 44' ' ' GLU . 0.2 OUTLIER -40.17 -28.84 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.09 . . . . 0.0 109.322 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.537 ' CD2' ' C2C' ' A' ' 95' ' ' HEM . 0.9 OUTLIER -85.09 -61.52 1.75 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.456 ' O ' ' C ' ' A' ' 48' ' ' GLU . 22.9 mtm180 -57.13 -56.7 18.38 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.544 1.152 . . . . 0.0 110.312 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 44' ' ' GLU . 3.2 tp10 -34.17 -45.09 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.314 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 22.2 pt20 -129.64 48.12 2.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 0.0 110.272 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 22' ' ' TRP . . . -70.13 -92.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.352 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 52' ' ' GLY . . . -41.84 -32.94 1.02 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.535 1.147 . . . . 0.0 110.97 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 51' ' ' GLY . . . -59.51 -141.43 0.01 OUTLIER Glycine 0 CA--C 1.529 0.944 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -129.55 111.13 12.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 0.731 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 58' ' ' PHE . . . -112.79 19.33 17.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.0 m -50.51 -61.35 2.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 110.471 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.413 ' HA ' ' CG ' ' A' ' 59' ' ' GLU . 14.3 mt-10 -66.1 -40.53 90.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 110.325 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -65.99 -13.28 59.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.794 ' CD1' ' CE1' ' A' ' 63' ' ' HIS . 75.1 t80 -99.91 -40.3 7.74 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.612 1.195 . . . . 0.0 110.97 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.413 ' CG ' ' HA ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -81.38 -30.39 33.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 110.243 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.412 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 49.0 t0 -60.39 -44.08 96.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.485 ' CG1' ' CMD' ' A' ' 95' ' ' HEM . 9.1 m -67.3 -17.56 22.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 109.259 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 62.22 84.13 0.06 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.499 1.124 . . . . 0.0 111.044 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.794 ' CE1' ' CD1' ' A' ' 58' ' ' PHE . 35.3 m80 -71.47 140.13 49.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 0.786 . . . . 0.0 109.574 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.26 170.03 15.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.426 1.079 . . . . 0.0 109.997 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -50.3 -46.79 55.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.362 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -41.09 -40.6 1.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.25 -46.72 66.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.339 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 65' ' ' THR . 4.5 ttp180 -42.52 -45.25 4.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 110.338 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.22 -50.55 67.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.472 1.108 . . . . 0.0 110.301 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 73' ' ' THR . 1.1 mp -61.07 -66.51 0.52 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.596 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 5.3 p -33.93 -55.51 0.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.005 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.22 -51.09 71.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.357 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -59.18 -29.98 67.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.373 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.531 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 40.9 m-85 -100.05 39.74 1.31 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.957 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 4.6 tt -113.83 139.89 37.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 109.342 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.476 HG12 ' N ' ' A' ' 77' ' ' GLY . 0.2 OUTLIER -124.64 -37.21 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 109.339 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.476 ' N ' HG12 ' A' ' 76' ' ' ILE . . . 169.69 -175.82 43.74 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.549 1.156 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -109.08 170.07 8.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 0.777 . . . . 0.0 110.304 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.459 HD23 ' N ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -104.91 152.16 22.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.256 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.459 ' N ' HD23 ' A' ' 79' ' ' LEU . 0.5 OUTLIER -38.68 108.66 0.47 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.598 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 0.77 8.52 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.493 1.786 . . . . 0.0 110.964 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -76.7 -45.05 31.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -91.13 -7.41 51.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.419 1.074 . . . . 0.0 109.295 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 11.2 ttp180 -71.7 -37.26 70.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.293 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 39.2 t -90.85 45.77 1.28 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.547 1.154 . . . . 0.0 110.009 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.06 -22.12 45.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.6 mp -81.84 -54.67 9.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 109.29 -179.97 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' HEM . . . . . 1.51 HMA3 ' CMA' ' A' ' 95' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.468 ' CG1' ' CE1' ' A' ' 6' ' ' TYR . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.481 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -111.9 120.79 43.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.468 ' CE1' ' CG1' ' A' ' 4' ' ' VAL . 30.5 m-85 -99.29 124.23 44.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.603 1.19 . . . . 0.0 111.034 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.481 ' CE1' ' HB3' ' A' ' 5' ' ' LYS . 13.5 m-85 -111.5 146.34 37.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.387 1.054 . . . . 0.0 111.008 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.413 ' C ' ' N ' ' A' ' 10' ' ' GLU . 1.7 p -73.76 145.94 44.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 110.39 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.407 ' O ' HG12 ' A' ' 12' ' ' ILE . 1.4 pt? -52.75 -18.87 2.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.413 ' N ' ' C ' ' A' ' 8' ' ' THR . 1.1 mt-10 -63.56 -33.72 76.23 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.46 1.1 . . . . 0.0 110.27 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.493 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -61.61 -74.61 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 110.236 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.493 ' C ' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -33.61 -40.7 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.432 ' C ' ' N ' ' A' ' 15' ' ' HIS . 5.7 mm-40 -61.8 -82.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.315 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.426 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -41.76 -29.29 0.19 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.447 ' C ' ' O ' ' A' ' 20' ' ' SER . 85.2 m-70 -91.29 48.31 1.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 109.603 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.6 pttt -110.2 30.71 6.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.363 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 20' ' ' SER . 0.1 OUTLIER -129.32 163.69 25.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.85 -53.98 17.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.033 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.19 -45.31 8.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 15' ' ' HIS . 23.6 p -137.41 99.21 3.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.034 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -114.31 109.82 18.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.454 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.42 ' O ' ' C ' ' A' ' 50' ' ' ALA . 10.2 m0 -115.96 162.12 17.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 107.999 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.5 p -158.66 121.84 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 109.331 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 8.2 mt -68.91 108.58 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.564 1.165 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.576 HD22 ' CE2' ' A' ' 30' ' ' TYR . 0.6 OUTLIER -117.11 120.76 39.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.405 ' HE1' ' CE1' ' A' ' 58' ' ' PHE . 0.7 OUTLIER 39.73 53.74 2.52 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.428 1.08 . . . . 0.0 109.569 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 56.7 51.91 10.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.588 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -169.95 106.33 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.108 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.434 ' CG2' HD11 ' A' ' 76' ' ' ILE . 6.2 m -62.9 141.6 17.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.564 1.165 . . . . 0.0 109.338 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.608 ' CE2' ' HB3' ' A' ' 71' ' ' SER . 3.6 m-30 -117.14 108.82 16.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.918 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.408 ' HA ' ' CD1' ' A' ' 22' ' ' TRP . 23.9 t0 -78.21 78.25 4.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 36' ' ' LEU . 0.5 OUTLIER -95.34 36.29 1.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.252 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 54.3 m -56.86 -52.26 65.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.465 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.89 -41.14 91.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.54 ' HB2' ' CZ ' ' A' ' 74' ' ' TYR . 85.7 t80 -89.33 19.46 4.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.9 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 32' ' ' LEU . 2.5 tm? -75.84 -48.32 22.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 0.0 109.332 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -90.06 -9.84 46.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 110.301 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.15 -23.11 28.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.326 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.602 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 5.0 t-160 -50.08 126.88 20.91 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.44 1.088 . . . . 0.0 109.598 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.602 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.2 Cg_endo -75.0 -26.55 10.8 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.484 1.781 . . . . 0.0 110.984 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.84 -68.47 1.64 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.495 1.122 . . . . 0.0 111.088 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.1 145.03 7.89 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.4 -7.47 59.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 0.746 . . . . 0.0 110.293 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.463 ' C ' ' N ' ' A' ' 46' ' ' LEU . 34.9 tt0 -97.22 -52.9 3.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 110.242 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 44' ' ' GLU . 0.2 OUTLIER -40.24 -28.42 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.572 HD22 ' C3C' ' A' ' 95' ' ' HEM . 0.3 OUTLIER -87.03 -49.72 7.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.335 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.464 ' O ' ' C ' ' A' ' 48' ' ' GLU . 5.0 mtp-105 -65.25 -60.06 3.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.591 1.182 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.464 ' C ' ' O ' ' A' ' 47' ' ' ARG . 28.6 tt0 -33.42 -45.09 0.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.122 . . . . 0.0 110.271 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -129.14 47.78 2.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.321 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.449 ' CA ' ' O ' ' A' ' 46' ' ' LEU . . . -71.99 -90.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -40.78 -33.12 0.58 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.458 1.099 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.31 -137.01 0.01 OUTLIER Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -136.17 115.02 12.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 0.793 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 58' ' ' PHE . . . -112.03 25.68 11.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.44 1.087 . . . . 0.0 109.225 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 28.5 m -50.43 -72.1 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 110.439 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 60' ' ' ASP . 18.4 mt-10 -59.44 -36.23 75.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 110.318 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -63.33 -23.68 67.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 109.321 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.516 ' CD2' HD23 ' A' ' 25' ' ' LEU . 0.5 OUTLIER -91.94 -39.83 11.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 111.03 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -77.52 -30.99 53.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.286 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 56' ' ' GLU . 56.7 t0 -62.7 -43.85 97.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.652 1.22 . . . . 0.0 109.22 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.507 ' CG1' ' CMD' ' A' ' 95' ' ' HEM . 5.4 m -70.0 -17.21 20.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 59.27 84.8 0.04 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.457 1.098 . . . . 0.0 110.979 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.475 ' CE1' ' CG2' ' A' ' 61' ' ' VAL . 36.4 m80 -69.94 140.01 52.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 0.76 . . . . 0.0 109.612 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.57 170.0 16.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.03 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -51.49 -46.53 63.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.377 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -41.94 -41.14 2.39 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.56 1.163 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.3 -46.2 74.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 65' ' ' THR . 3.7 ttt180 -43.07 -40.87 3.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.37 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -69.32 -53.33 20.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 110.366 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.475 ' O ' ' C ' ' A' ' 71' ' ' SER . 0.8 OUTLIER -57.23 -65.83 0.56 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.258 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.608 ' HB3' ' CE2' ' A' ' 30' ' ' TYR . 58.8 m -32.74 -58.51 0.35 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 110.005 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.4 -51.56 67.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.457 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.7 OUTLIER -57.69 -31.36 66.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.407 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.54 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 45.0 m-85 -100.04 41.61 1.15 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.425 1.078 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 6.6 tt -116.06 139.93 40.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.475 HG12 ' N ' ' A' ' 77' ' ' GLY . 0.2 OUTLIER -123.3 -38.83 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.475 ' N ' HG12 ' A' ' 76' ' ' ILE . . . 173.6 -162.38 33.3 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.482 1.114 . . . . 0.0 111.038 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -119.84 170.07 9.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 0.774 . . . . 0.0 110.351 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.479 ' CD2' ' O ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -98.7 144.54 27.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.479 ' O ' ' CD2' ' A' ' 79' ' ' LEU . 0.3 OUTLIER -38.52 120.05 1.09 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.583 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.427 ' HA ' ' HB3' ' A' ' 84' ' ' ARG . 18.2 Cg_endo -75.05 -4.55 15.57 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.53 1.805 . . . . 0.0 111.014 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -80.31 -33.53 37.5 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.566 1.166 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -99.96 -8.82 23.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.427 ' HB3' ' HA ' ' A' ' 81' ' ' PRO . 0.0 OUTLIER -60.2 -22.68 63.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.3 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -109.37 45.64 1.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.997 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -100.01 38.88 1.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.3 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.3 mp -99.9 -59.76 3.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.168 . . . . 0.0 109.318 179.958 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' HEM . . . . . 1.523 HMA3 ' CMA' ' A' ' 95' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.464 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -115.89 124.02 49.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 0.0 109.295 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -100.56 111.82 24.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.085 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.464 ' CE1' ' HB3' ' A' ' 5' ' ' LYS . 20.3 m-85 -100.02 149.71 23.19 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.563 1.165 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.1 p -79.13 151.47 31.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 110.445 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.413 HD22 ' N ' ' A' ' 10' ' ' GLU . 1.5 pt? -55.7 -18.29 7.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.413 ' N ' HD22 ' A' ' 9' ' ' LEU . 2.1 mm-40 -65.48 -34.35 78.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.459 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -61.71 -72.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.378 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.459 ' C ' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -36.0 -42.06 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 0.0 109.291 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.408 ' C ' ' N ' ' A' ' 15' ' ' HIS . 2.2 mm-40 -59.4 -78.84 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.399 1.062 . . . . 0.0 110.299 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.411 ' HE3' ' NE2' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -46.42 -26.4 0.84 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 0.0 109.253 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.415 ' NE2' ' HG3' ' A' ' 11' ' ' GLU . 81.1 m-70 -93.55 43.67 1.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.586 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -108.23 23.59 14.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.329 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -119.72 169.35 10.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.08 -49.09 76.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.017 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 20' ' ' SER . 3.4 ptpt -43.14 -46.63 5.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.405 ' N ' ' HG3' ' A' ' 19' ' ' LYS . 25.9 m -139.88 98.55 3.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.059 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.9 m -103.42 110.26 22.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.415 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 8.6 m0 -115.67 158.08 23.29 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.43 ' CG1' ' HB2' ' A' ' 30' ' ' TYR . 8.6 p -157.26 121.19 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 8.0 mt -68.43 106.32 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.253 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.603 ' CD2' ' CD2' ' A' ' 30' ' ' TYR . 0.5 OUTLIER -117.44 122.29 43.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.417 ' C ' ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER 38.99 55.57 2.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.566 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.5 m80 52.86 51.89 15.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.622 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt -168.91 99.32 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.283 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.486 ' CG1' ' HB3' ' A' ' 79' ' ' LEU . 11.5 m -56.53 140.3 14.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.605 ' CE2' ' HB3' ' A' ' 71' ' ' SER . 4.8 m-30 -115.91 107.71 15.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 111.031 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -77.22 74.75 3.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.406 1.066 . . . . 0.0 109.294 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -92.71 44.95 1.17 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.528 1.142 . . . . 0.0 109.243 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 92.8 m -66.05 -49.43 67.71 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 0.0 110.377 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.05 -36.01 72.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.56 ' HB2' ' CZ ' ' A' ' 74' ' ' TYR . 80.4 t80 -89.71 14.81 10.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 111.019 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -71.59 -45.61 61.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -90.06 -9.29 49.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.1 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.84 -24.91 28.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 110.283 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.484 ' CB ' HD12 ' A' ' 46' ' ' LEU . 5.1 t-160 -50.88 123.5 18.75 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.639 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.453 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.4 Cg_endo -75.02 -30.71 6.84 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.447 1.762 . . . . 0.0 111.026 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.01 -65.57 3.04 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.524 1.14 . . . . 0.0 111.034 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.1 145.31 8.05 Favored Glycine 0 CA--C 1.529 0.946 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -86.95 -7.63 57.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 0.732 . . . . 0.0 110.264 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' A' ' 48' ' ' GLU . 1.2 tp10 -98.19 -53.78 3.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.407 ' C ' ' O ' ' A' ' 44' ' ' GLU . 0.2 OUTLIER -40.04 -28.72 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.535 ' CD2' ' C2C' ' A' ' 95' ' ' HEM . 1.2 mt -80.87 -58.22 3.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.429 ' O ' ' C ' ' A' ' 48' ' ' GLU . 57.2 mtm180 -62.39 -50.32 72.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.224 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 44' ' ' GLU . 7.3 pt-20 -35.97 -36.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 110.335 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.583 HE22 ' ND2' ' A' ' 57' ' ' ASN . 13.3 pt20 -143.24 45.84 1.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.434 1.084 . . . . 0.0 110.319 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.48 -87.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.402 ' O ' ' HB ' ' A' ' 12' ' ' ILE . . . -44.49 -30.73 2.19 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.46 1.1 . . . . 0.0 110.982 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.36 -137.21 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -134.16 111.46 10.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 0.785 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -111.12 23.29 14.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.354 1.034 . . . . 0.0 109.315 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 17.5 m -50.76 -69.96 0.1 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 110.408 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.402 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 23.5 mt-10 -62.18 -38.83 90.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.412 1.07 . . . . 0.0 110.24 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.583 ' ND2' HE22 ' A' ' 49' ' ' GLN . 8.6 m-80 -61.59 -20.32 63.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.521 ' CD2' HD23 ' A' ' 25' ' ' LEU . 0.6 OUTLIER -95.33 -40.2 9.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -77.3 -34.64 55.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.402 ' HB2' ' O ' ' A' ' 56' ' ' GLU . 12.0 t70 -59.09 -42.14 89.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.514 ' CG1' ' CMD' ' A' ' 95' ' ' HEM . 5.0 m -70.97 -16.41 19.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 57.8 85.27 0.03 OUTLIER Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.549 1.155 . . . . 0.0 111.029 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.479 ' CE1' ' CG2' ' A' ' 61' ' ' VAL . 34.7 m80 -69.98 140.04 52.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.433 0.725 . . . . 0.0 109.598 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.7 m -81.55 170.14 16.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.002 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -50.95 -46.3 60.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 110.431 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -41.04 -41.36 1.67 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.39 -46.51 66.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.256 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 65' ' ' THR . 3.2 ttt85 -39.21 -45.89 1.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.316 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -66.84 -54.99 16.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 110.266 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.467 ' O ' ' C ' ' A' ' 71' ' ' SER . 0.8 OUTLIER -55.32 -66.85 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.276 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.605 ' HB3' ' CE2' ' A' ' 30' ' ' TYR . 74.0 m -33.12 -58.0 0.38 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 109.986 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.26 -50.15 74.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.46 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -57.66 -31.35 66.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.44 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.56 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 44.0 m-85 -100.0 37.94 1.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 111.075 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -112.15 139.85 34.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.35 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.496 HG12 ' N ' ' A' ' 77' ' ' GLY . 0.2 OUTLIER -123.15 -38.01 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.496 ' N ' HG12 ' A' ' 76' ' ' ILE . . . 174.69 -159.76 28.64 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.553 1.158 . . . . 0.0 110.991 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -122.68 170.13 10.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 0.784 . . . . 0.0 110.244 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.562 ' O ' ' CD1' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -105.97 150.86 25.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.518 ' N ' HD23 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -37.84 115.05 0.77 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.622 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 -17.44 19.61 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.521 1.8 . . . . 0.0 110.955 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.96 -34.58 38.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -100.11 18.73 17.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 20.1 ptt180 -76.07 -14.56 60.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.303 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 43.1 t -109.88 21.05 17.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.6 1.187 . . . . 0.0 110.022 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.65 30.76 3.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.6 mp -96.13 -47.84 12.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.335 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 179.982 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' HEM . . . . . 1.496 HMA3 ' CMA' ' A' ' 95' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.407 ' CG1' ' CE1' ' A' ' 6' ' ' TYR . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.523 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -115.13 121.26 42.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.407 ' CE1' ' CG1' ' A' ' 4' ' ' VAL . 32.3 m-85 -100.98 109.21 21.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.967 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.523 ' CE1' ' HB3' ' A' ' 5' ' ' LYS . 15.9 m-85 -97.4 151.51 19.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 111.065 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.9 p -83.9 149.13 26.54 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.535 1.147 . . . . 0.0 110.363 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -53.55 -18.99 3.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.15 -38.13 89.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.311 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.47 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -58.63 -73.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 110.323 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.47 ' C ' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -35.3 -44.67 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.359 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.415 ' C ' ' N ' ' A' ' 15' ' ' HIS . 12.9 mm-40 -55.96 -78.97 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 110.335 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.402 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -47.55 -24.42 0.86 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.563 1.165 . . . . 0.0 109.197 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.415 ' N ' ' C ' ' A' ' 13' ' ' GLN . 82.3 m-70 -94.13 43.8 1.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.641 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.6 ttpp -110.16 32.94 4.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -129.82 161.71 30.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.167 . . . . 0.0 109.316 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 19' ' ' LYS . 0.5 OUTLIER -47.35 -50.23 22.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.948 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 18' ' ' SER . 11.8 mptt -39.42 -58.82 1.17 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.8 m -135.83 96.49 3.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.013 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.4 m -102.29 109.87 21.66 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 110.383 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.409 ' O ' ' C ' ' A' ' 50' ' ' ALA . 11.0 m0 -109.05 162.39 14.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 107.962 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.484 ' CG1' ' HB2' ' A' ' 30' ' ' TYR . 14.7 p -154.0 119.74 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.466 HG22 ' CD1' ' A' ' 79' ' ' LEU . 23.4 mt -69.54 113.39 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.571 HD21 ' CD2' ' A' ' 30' ' ' TYR . 1.6 mp -122.18 115.73 22.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.4 ' C ' ' O ' ' A' ' 25' ' ' LEU . 7.6 p-80 38.83 60.31 1.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.622 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.558 ' CD2' ' HG2' ' A' ' 84' ' ' ARG . 64.5 m80 53.48 52.65 12.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.595 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.1 mttp -169.56 107.07 0.39 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.397 1.061 . . . . 0.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.456 HG22 ' CD1' ' A' ' 76' ' ' ILE . 10.2 m -69.1 140.37 18.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.575 1.172 . . . . 0.0 109.3 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.593 ' CE2' ' HB3' ' A' ' 71' ' ' SER . 4.5 m-30 -116.81 107.84 15.12 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.49 1.119 . . . . 0.0 110.984 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -76.27 73.29 3.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -90.81 38.51 0.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 92.2 m -60.2 -54.99 39.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.378 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.52 -43.6 98.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.588 ' CD2' ' O ' ' A' ' 35' ' ' TYR . 88.0 t80 -90.05 27.14 1.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 111.0 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -80.33 -49.11 11.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -89.95 -9.38 49.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.6 -21.26 28.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.338 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.569 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 5.5 t-160 -50.02 125.17 18.03 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 0.0 109.607 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.569 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.3 Cg_endo -74.94 -28.59 9.16 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.437 1.756 . . . . 0.0 111.081 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.46 -66.76 2.22 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.461 1.101 . . . . 0.0 111.066 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -173.99 146.54 8.79 Favored Glycine 0 CA--C 1.531 1.062 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -85.89 -29.91 23.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 0.766 . . . . 0.0 110.29 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.527 ' O ' ' N ' ' A' ' 48' ' ' GLU . 0.4 OUTLIER -73.75 -54.99 6.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.234 -179.911 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.415 HG21 ' CAC' ' A' ' 95' ' ' HEM . 0.2 OUTLIER -39.86 -29.45 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.566 HD22 ' C3C' ' A' ' 95' ' ' HEM . 2.0 mt -84.14 -63.54 1.33 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.465 ' O ' ' C ' ' A' ' 48' ' ' GLU . 1.1 mtm105 -57.2 -56.58 20.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.328 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.527 ' N ' ' O ' ' A' ' 44' ' ' GLU . 17.5 tp10 -33.27 -45.53 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.583 HE22 ' ND2' ' A' ' 57' ' ' ASN . 24.9 pt20 -130.73 47.4 2.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.32 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 46' ' ' LEU . . . -68.5 -89.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.442 ' O ' ' HB ' ' A' ' 12' ' ' ILE . . . -42.61 -32.13 1.23 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.553 1.158 . . . . 0.0 111.023 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 51' ' ' GLY . . . -60.16 -137.54 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -136.89 109.91 7.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 0.757 . . . . 0.0 109.356 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -112.58 27.33 9.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.3 m -55.17 -59.05 5.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.361 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -66.33 -41.37 89.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 110.263 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.583 ' ND2' HE22 ' A' ' 49' ' ' GLN . 1.7 m120 -64.92 -14.33 59.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.813 ' CD1' ' CE1' ' A' ' 63' ' ' HIS . 78.0 t80 -98.57 -39.99 8.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 110.987 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -80.53 -34.98 35.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -57.42 -43.69 84.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.361 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.513 ' CG1' ' CMD' ' A' ' 95' ' ' HEM . 9.5 m -67.22 -17.58 22.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.517 1.135 . . . . 0.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 61.31 84.02 0.06 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.538 1.149 . . . . 0.0 111.022 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.813 ' CE1' ' CD1' ' A' ' 58' ' ' PHE . 31.6 m80 -70.89 140.0 50.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 0.772 . . . . 0.0 109.668 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.0 p -80.63 170.04 16.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.973 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -52.15 -43.44 64.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.393 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -43.71 -41.13 4.63 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.531 1.145 . . . . 0.0 109.253 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.71 -46.72 71.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.123 . . . . 0.0 109.327 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.12 -46.88 3.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.263 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.11 -54.41 38.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 110.298 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.465 ' O ' ' C ' ' A' ' 71' ' ' SER . 1.2 mp -56.34 -66.2 0.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.593 ' HB3' ' CE2' ' A' ' 30' ' ' TYR . 58.8 m -33.65 -57.93 0.43 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.962 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.401 ' O ' ' CG2' ' A' ' 75' ' ' ILE . 1.9 tttt -56.28 -51.0 69.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.1 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -58.76 -30.56 67.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.378 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.543 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 40.2 m-85 -100.06 39.55 1.33 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.512 1.132 . . . . 0.0 111.028 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.401 ' CG2' ' O ' ' A' ' 72' ' ' LYS . 6.1 tt -114.69 140.0 37.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.456 ' CD1' HG22 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -123.1 -37.82 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 109.356 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.446 ' N ' HG12 ' A' ' 76' ' ' ILE . . . 175.68 -167.98 40.1 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.548 1.155 . . . . 0.0 110.967 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -116.22 169.92 8.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 0.749 . . . . 0.0 110.347 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.466 ' CD1' HG22 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -102.49 150.15 23.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.555 1.159 . . . . 0.0 109.31 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.448 ' O ' HD23 ' A' ' 79' ' ' LEU . 0.4 OUTLIER -47.6 113.29 2.5 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.612 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 -5.88 17.36 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.483 1.78 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -79.67 -32.87 41.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -100.09 -14.69 18.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.234 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.558 ' HG2' ' CD2' ' A' ' 27' ' ' HIS . 12.3 tpt180 -59.9 -34.99 73.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.333 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.1 t -81.34 -18.72 44.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.538 1.148 . . . . 0.0 110.004 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -92.59 35.36 1.03 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 4.2 tp -80.27 -39.97 19.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.611 1.194 . . . . 0.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 109.246 -179.98 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' HEM . . . . . 1.506 HMA3 ' CMA' ' A' ' 95' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.497 ' CG1' ' CE1' ' A' ' 6' ' ' TYR . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.95 120.48 42.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.262 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.497 ' CE1' ' CG1' ' A' ' 4' ' ' VAL . 32.9 m-85 -100.96 113.82 27.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 111.068 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -101.57 160.0 14.81 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.524 1.14 . . . . 0.0 110.982 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.435 ' C ' ' N ' ' A' ' 10' ' ' GLU . 1.5 p -89.71 140.27 29.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.383 1.052 . . . . 0.0 110.401 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.414 ' O ' HG12 ' A' ' 12' ' ' ILE . 1.3 pt? -47.23 -22.54 0.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.245 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.435 ' N ' ' C ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -63.2 -31.68 72.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.496 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.6 OUTLIER -62.45 -75.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.281 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.496 ' C ' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -33.31 -40.28 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.326 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 11' ' ' GLU . 5.1 mm100 -59.85 -70.42 0.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.345 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -54.12 -29.97 46.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.363 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.426 ' NE2' ' HG3' ' A' ' 11' ' ' GLU . 75.4 m-70 -89.76 46.98 1.41 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.135 . . . . 0.0 109.565 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -109.63 20.23 18.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -116.5 169.77 9.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.85 -49.73 75.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.967 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.37 -45.73 9.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 42.1 m -138.07 96.59 3.23 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.54 1.15 . . . . 0.0 110.081 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.4 m -103.17 110.0 21.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 110.369 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 11.1 m0 -116.79 157.53 25.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 107.974 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.401 HG12 ' CD2' ' A' ' 32' ' ' LEU . 3.9 p -156.09 122.77 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.249 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.469 HG22 ' CD1' ' A' ' 79' ' ' LEU . 40.4 mt -69.01 114.54 6.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.577 HD21 ' CD2' ' A' ' 30' ' ' TYR . 1.1 mp -123.65 115.89 22.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.406 ' HE1' ' CE1' ' A' ' 58' ' ' PHE . 0.2 OUTLIER 40.03 55.63 2.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 109.596 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 56.93 53.06 8.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.526 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -170.04 106.2 0.33 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.582 1.176 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.438 ' CG1' ' HB3' ' A' ' 79' ' ' LEU . 10.0 m -66.69 139.54 20.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.601 ' CE2' ' HB2' ' A' ' 71' ' ' SER . 4.7 m-30 -116.57 108.58 16.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 110.992 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -79.63 77.44 6.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.424 ' CD1' HD11 ' A' ' 46' ' ' LEU . 0.6 OUTLIER -92.54 40.15 1.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.122 . . . . 0.0 109.264 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 60.3 m -59.08 -51.15 71.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.11 . . . . 0.0 110.426 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.35 -40.37 81.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.371 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.568 ' CD2' ' O ' ' A' ' 35' ' ' TYR . 82.1 t80 -90.07 24.4 2.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.575 1.172 . . . . 0.0 110.995 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -80.65 -49.08 11.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.234 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -89.93 -7.95 52.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.222 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -87.09 -23.36 24.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.586 1.179 . . . . 0.0 110.336 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.595 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 5.2 t-160 -49.92 126.43 19.36 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 109.585 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.595 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.3 Cg_endo -75.03 -29.81 7.78 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.465 1.771 . . . . 0.0 110.958 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.13 -67.77 1.91 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.535 1.147 . . . . 0.0 110.949 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.07 149.91 11.22 Favored Glycine 0 CA--C 1.531 1.077 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -87.72 -22.8 24.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 0.797 . . . . 0.0 110.255 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 48' ' ' GLU . 2.1 mt-10 -81.35 -54.46 5.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.265 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.404 ' C ' ' O ' ' A' ' 44' ' ' GLU . 0.2 OUTLIER -39.98 -29.18 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.539 HD22 ' C3C' ' A' ' 95' ' ' HEM . 1.3 mt -84.53 -60.73 1.98 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.469 ' O ' ' C ' ' A' ' 48' ' ' GLU . 23.9 mtm105 -58.62 -57.35 13.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.344 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 44' ' ' GLU . 23.7 tt0 -32.96 -45.3 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.336 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -130.56 49.77 2.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.439 1.087 . . . . 0.0 110.247 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.74 -91.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 109.293 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.421 ' O ' ' HB ' ' A' ' 12' ' ' ILE . . . -40.11 -34.15 0.55 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.456 1.097 . . . . 0.0 110.937 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 51' ' ' GLY . . . -59.35 -143.67 0.01 OUTLIER Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -126.91 114.3 17.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 0.784 . . . . 0.0 109.252 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -115.93 25.28 10.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.7 m -57.9 -62.44 1.81 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.372 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -62.67 -39.32 93.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.59 1.181 . . . . 0.0 110.353 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -64.42 -22.65 67.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.557 ' CD2' HD23 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -88.69 -40.04 13.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 111.034 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -78.4 -35.97 46.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 110.256 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -56.25 -44.68 79.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.53 ' CG1' ' CMD' ' A' ' 95' ' ' HEM . 5.9 m -69.23 -17.48 21.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 61.59 83.4 0.07 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.486 1.116 . . . . 0.0 110.958 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.495 ' CE1' ' CG2' ' A' ' 61' ' ' VAL . 38.1 m80 -71.28 140.02 50.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 0.751 . . . . 0.0 109.583 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 38.5 m -85.79 169.94 12.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.422 1.076 . . . . 0.0 109.98 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.478 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.1 m -48.13 -48.01 34.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 110.443 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.1 -38.32 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.2 -46.32 42.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 65' ' ' THR . 3.7 mtt-85 -46.28 -37.07 6.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 110.308 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -71.68 -54.51 10.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.16 . . . . 0.0 110.319 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.528 ' O ' ' N ' ' A' ' 73' ' ' THR . 0.4 OUTLIER -57.57 -62.53 1.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.344 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.601 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 3.2 p -39.31 -55.48 1.71 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 0.0 109.965 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.506 ' O ' ' CG2' ' A' ' 75' ' ' ILE . 0.3 OUTLIER -59.43 -36.28 75.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.385 1.053 . . . . 0.0 109.265 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.528 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -72.97 -29.79 63.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.383 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.534 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 36.3 m-85 -100.19 37.86 1.59 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 110.98 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.506 ' CG2' ' O ' ' A' ' 72' ' ' LYS . 8.4 tp -107.83 139.82 28.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.445 1.091 . . . . 0.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.438 HG12 ' N ' ' A' ' 77' ' ' GLY . 0.2 OUTLIER -124.57 -33.86 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.09 . . . . 0.0 109.294 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.438 ' N ' HG12 ' A' ' 76' ' ' ILE . . . 170.51 -167.72 40.84 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -117.17 170.02 8.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 0.761 . . . . 0.0 110.228 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.469 ' CD1' HG22 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -101.57 148.99 24.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.351 179.931 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.462 ' O ' ' CD2' ' A' ' 79' ' ' LEU . 0.1 OUTLIER -44.2 117.46 2.82 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.596 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -7.8 19.51 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.497 1.788 . . . . 0.0 111.049 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -80.23 -39.22 29.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -100.09 28.34 4.95 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.485 1.116 . . . . 0.0 109.348 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.56 -2.84 18.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.259 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.3 m -93.18 46.99 1.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.99 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.411 ' HB3' ' CD1' ' A' ' 9' ' ' LEU . 0.5 OUTLIER -90.56 23.84 2.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.577 1.173 . . . . 0.0 109.239 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 4.9 tp -79.04 -25.14 12.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.548 1.155 . . . . 0.0 109.375 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.347 179.956 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' HEM . . . . . 1.501 HMA3 ' CMA' ' A' ' 95' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.551 ' CG1' ' CE1' ' A' ' 6' ' ' TYR . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.44 120.76 43.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 0.0 109.241 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.551 ' CE1' ' CG1' ' A' ' 4' ' ' VAL . 29.9 m-85 -100.98 118.94 37.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -107.35 160.08 15.89 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.425 1.078 . . . . 0.0 110.952 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.9 p -90.47 146.33 24.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 110.428 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -51.42 -20.42 1.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -64.2 -34.6 78.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.575 1.172 . . . . 0.0 110.32 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.485 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.1 OUTLIER -60.09 -75.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 110.342 179.928 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.485 ' C ' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -34.28 -44.61 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.42 1.075 . . . . 0.0 109.242 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -54.6 -63.49 1.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.108 . . . . 0.0 110.27 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.3 ptpm? -63.01 -24.37 67.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.273 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.423 ' C ' ' O ' ' A' ' 20' ' ' SER . 57.1 m-70 -94.62 44.38 1.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 109.643 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.83 28.92 8.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -129.4 169.81 14.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.447 ' O ' ' CG2' ' A' ' 33' ' ' THR . 1.0 OUTLIER -55.19 -49.53 71.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.477 1.11 . . . . 0.0 110.04 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.404 ' O ' ' CG2' ' A' ' 33' ' ' THR . 5.4 ttmt -42.63 -54.51 3.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 15' ' ' HIS . 4.7 m -133.1 90.39 2.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.013 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.6 m -96.39 111.38 23.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.427 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.402 ' O ' ' C ' ' A' ' 50' ' ' ALA . 10.6 m0 -118.75 159.45 23.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 108.039 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.432 ' CG1' ' HB2' ' A' ' 30' ' ' TYR . 8.2 p -154.98 121.72 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 24.3 mt -70.92 110.54 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.578 HD21 ' CD2' ' A' ' 30' ' ' TYR . 1.1 mp -118.49 124.93 48.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.526 ' CE1' ' HB3' ' A' ' 25' ' ' LEU . 0.0 OUTLIER 39.67 43.83 1.17 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 109.565 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.494 ' CD2' ' HD3' ' A' ' 84' ' ' ARG . 1.4 m80 67.04 49.61 1.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 109.559 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.493 ' HG2' ' CB ' ' A' ' 78' ' ' GLU . 4.2 mtmm -166.03 115.71 0.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.465 HG22 ' CD1' ' A' ' 76' ' ' ILE . 11.3 m -69.19 141.05 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.258 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.619 ' CE2' ' HB3' ' A' ' 71' ' ' SER . 3.3 m-30 -117.87 107.58 14.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 111.031 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.425 ' OD1' ' OG1' ' A' ' 33' ' ' THR . 63.8 t0 -76.49 82.61 3.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 36' ' ' LEU . 0.9 OUTLIER -101.38 36.49 2.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.28 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.447 ' CG2' ' O ' ' A' ' 18' ' ' SER . 16.4 m -60.0 -42.5 94.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 110.385 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.5 ttmm -74.11 -40.73 62.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.545 ' HB2' ' CZ ' ' A' ' 74' ' ' TYR . 91.9 t80 -89.97 17.59 6.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.62 1.2 . . . . 0.0 110.972 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 32' ' ' LEU . 1.8 tm? -71.86 -48.31 46.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.36 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -90.0 -7.58 53.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.321 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -86.76 -23.87 25.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.23 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.59 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 5.0 t-160 -49.93 126.48 19.44 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 109.62 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.59 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.2 Cg_endo -75.01 -28.3 9.26 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.507 1.793 . . . . 0.0 110.948 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.48 -68.76 1.55 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.456 1.097 . . . . 0.0 110.986 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.05 148.34 9.94 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.58 -17.77 35.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.547 0.792 . . . . 0.0 110.302 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' A' ' 48' ' ' GLU . 5.4 tt0 -86.09 -53.8 4.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.367 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.404 ' C ' ' O ' ' A' ' 44' ' ' GLU . 0.2 OUTLIER -40.28 -28.9 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.566 HD22 ' C3C' ' A' ' 95' ' ' HEM . 0.8 OUTLIER -85.1 -61.81 1.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 48' ' ' GLU . 24.0 mtm180 -56.12 -57.13 13.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 110.288 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 44' ' ' GLU . 2.9 tp10 -34.67 -44.66 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 110.254 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -131.47 54.04 1.95 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.429 1.081 . . . . 0.0 110.294 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.402 ' C ' ' O ' ' A' ' 22' ' ' TRP . . . -77.39 -90.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.405 ' O ' ' HB ' ' A' ' 12' ' ' ILE . . . -40.18 -33.71 0.52 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.465 1.103 . . . . 0.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.49 -138.83 0.01 OUTLIER Glycine 0 CA--C 1.529 0.932 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -132.36 113.83 13.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.423 0.72 . . . . 0.0 109.339 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -115.17 24.59 11.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.42 1.075 . . . . 0.0 109.291 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.6 m -54.71 -61.4 2.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.435 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -63.9 -40.71 97.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.256 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -63.86 -17.91 63.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.567 ' CD2' HD23 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -94.86 -40.02 9.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 110.965 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -78.65 -36.37 43.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.256 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -57.37 -44.01 84.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.522 ' CG1' ' CMD' ' A' ' 95' ' ' HEM . 6.1 m -69.01 -16.3 20.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 59.03 84.97 0.04 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.481 1.113 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.473 ' CE1' ' CG2' ' A' ' 61' ' ' VAL . 29.3 m80 -70.15 139.98 52.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 0.777 . . . . 0.0 109.542 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 m -82.15 169.95 16.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.955 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -50.74 -46.57 59.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.408 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -41.62 -38.64 1.42 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.435 1.085 . . . . 0.0 109.244 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.68 -46.65 62.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.448 1.093 . . . . 0.0 109.325 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 65' ' ' THR . 0.0 OUTLIER -42.4 -42.96 3.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.443 1.089 . . . . 0.0 110.323 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.88 -53.89 23.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.422 1.076 . . . . 0.0 110.289 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.48 ' O ' ' C ' ' A' ' 71' ' ' SER . 1.2 mp -56.94 -65.37 0.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.348 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.619 ' HB3' ' CE2' ' A' ' 30' ' ' TYR . 53.3 m -32.36 -58.97 0.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.004 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.86 -50.78 71.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.475 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -56.9 -32.99 66.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.392 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.545 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 50.2 m-85 -99.47 40.65 1.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.157 . . . . 0.0 111.001 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 3.2 tt -115.43 139.92 39.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.365 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.465 ' CD1' HG22 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -121.25 -38.26 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.457 ' N ' HG12 ' A' ' 76' ' ' ILE . . . 176.64 -162.82 31.53 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.461 1.101 . . . . 0.0 110.93 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.493 ' CB ' ' HG2' ' A' ' 28' ' ' LYS . 6.1 pt-20 -119.73 162.44 19.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 0.728 . . . . 0.0 110.406 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.582 ' O ' ' CD1' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -94.83 144.22 25.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.51 ' N ' HD23 ' A' ' 79' ' ' LEU . 0.4 OUTLIER -39.04 118.57 1.13 Allowed Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.117 . . . . 0.0 109.616 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.456 ' O ' ' NE ' ' A' ' 84' ' ' ARG . 18.2 Cg_endo -75.02 -16.58 20.09 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.518 1.799 . . . . 0.0 110.931 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -80.08 -33.82 38.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 109.366 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -99.78 17.33 20.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.494 ' HD3' ' CD2' ' A' ' 27' ' ' HIS . 0.1 OUTLIER -77.34 -24.31 50.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.288 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -109.98 36.61 2.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.404 1.065 . . . . 0.0 109.977 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.4 tptp -98.13 38.61 1.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.9 tp -93.25 -45.28 13.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.971 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' HEM . . . . . 1.509 HMA3 ' CMA' ' A' ' 95' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.423 ' CG1' ' CE1' ' A' ' 6' ' ' TYR . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.575 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -111.86 122.46 47.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.423 ' CE1' ' CG1' ' A' ' 4' ' ' VAL . 30.5 m-85 -100.92 104.93 16.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 111.026 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.575 ' CE1' ' HB3' ' A' ' 5' ' ' LYS . 14.5 m-85 -91.36 149.67 21.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.574 1.171 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.409 ' C ' ' N ' ' A' ' 10' ' ' GLU . 1.2 p -79.78 142.22 35.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.376 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.415 ' O ' HG12 ' A' ' 12' ' ' ILE . 1.3 pt? -50.07 -20.35 0.95 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.226 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.409 ' N ' ' C ' ' A' ' 8' ' ' THR . 0.8 OUTLIER -62.07 -30.93 71.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.308 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.52 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -66.18 -75.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.313 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.52 ' C ' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -31.56 -42.37 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.334 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 11' ' ' GLU . 2.8 mm-40 -57.71 -73.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.332 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.43 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 1.8 ptpm? -48.56 -23.24 0.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.224 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.402 ' N ' ' C ' ' A' ' 13' ' ' GLN . 58.6 m-70 -92.23 49.99 1.58 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.53 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.5 mtmt -110.17 26.91 10.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 109.251 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -132.19 166.28 22.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 19' ' ' LYS . 0.2 OUTLIER -54.7 -47.24 73.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 110.043 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.416 ' O ' ' CG2' ' A' ' 33' ' ' THR . 0.3 OUTLIER -40.07 -51.86 2.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.3 m -140.07 98.26 3.41 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.581 1.176 . . . . 0.0 109.968 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -104.19 109.96 21.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.36 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.477 ' CD1' ' HA ' ' A' ' 31' ' ' ASP . 8.6 m0 -113.01 158.42 20.3 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.524 1.14 . . . . 0.0 107.943 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.446 ' CG1' ' HB2' ' A' ' 30' ' ' TYR . 10.6 p -155.13 121.2 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 0.0 109.339 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.408 HG22 ' CD1' ' A' ' 79' ' ' LEU . 39.3 mt -70.18 110.42 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.568 HD22 ' CE2' ' A' ' 30' ' ' TYR . 0.9 OUTLIER -119.45 119.24 33.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.387 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.46 ' NE2' ' CD ' ' A' ' 59' ' ' GLU . 16.9 m80 39.81 55.91 2.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.611 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.6 m170 54.76 51.15 14.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.61 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.65 101.71 0.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.471 ' CG1' ' HB3' ' A' ' 79' ' ' LEU . 5.5 m -60.96 141.46 17.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.589 ' CE2' ' HB2' ' A' ' 71' ' ' SER . 3.7 m-30 -116.84 104.46 11.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 111.029 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.477 ' HA ' ' CD1' ' A' ' 22' ' ' TRP . 48.0 t0 -72.96 71.05 1.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.432 ' CD2' HG13 ' A' ' 23' ' ' VAL . 0.7 OUTLIER -89.45 42.83 1.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.271 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.416 ' CG2' ' O ' ' A' ' 19' ' ' LYS . 65.5 m -64.5 -54.13 37.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.353 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.98 -39.57 95.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.531 ' HB2' ' CZ ' ' A' ' 74' ' ' TYR . 88.6 t80 -90.05 17.47 6.88 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.491 1.119 . . . . 0.0 111.033 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.404 ' HB3' ' O ' ' A' ' 33' ' ' THR . 2.6 tm? -72.32 -50.03 30.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -89.46 -8.21 53.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.281 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -85.67 -24.25 27.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.266 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.593 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 5.4 t-160 -49.8 126.15 18.28 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.481 1.113 . . . . 0.0 109.656 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.593 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.5 Cg_endo -75.02 -30.45 7.12 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.492 1.785 . . . . 0.0 111.001 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.67 -66.77 2.32 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.523 1.139 . . . . 0.0 110.949 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.402 ' O ' HD12 ' A' ' 46' ' ' LEU . . . -174.07 153.89 18.04 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -90.47 -25.7 20.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 0.734 . . . . 0.0 110.283 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' A' ' 48' ' ' GLU . 10.5 tt0 -79.49 -52.82 7.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.323 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 44' ' ' GLU . 0.2 OUTLIER -39.94 -29.49 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.58 HD22 ' C3C' ' A' ' 95' ' ' HEM . 0.6 OUTLIER -87.17 -52.86 5.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.36 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.458 ' O ' ' C ' ' A' ' 48' ' ' GLU . 1.7 mtp85 -62.63 -60.01 4.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 44' ' ' GLU . 0.3 OUTLIER -34.08 -44.57 0.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.429 1.08 . . . . 0.0 110.285 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.428 ' OE1' ' ND2' ' A' ' 57' ' ' ASN . 11.8 pt20 -128.83 48.74 2.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 110.29 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 46' ' ' LEU . . . -73.01 -91.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.422 ' CA ' ' HB ' ' A' ' 12' ' ' ILE . . . -42.23 -32.41 1.11 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.5 -137.24 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -135.09 114.95 12.91 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.499 0.764 . . . . 0.0 109.268 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 58' ' ' PHE . . . -113.95 26.14 10.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.258 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.412 ' O ' ' HB3' ' A' ' 58' ' ' PHE . 28.8 m -50.04 -72.06 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.396 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.491 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 9.9 mt-10 -60.76 -36.49 79.08 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.568 1.168 . . . . 0.0 110.285 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.428 ' ND2' ' OE1' ' A' ' 49' ' ' GLN . 2.8 m120 -65.97 -16.19 63.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.804 ' CD1' ' CE1' ' A' ' 63' ' ' HIS . 71.5 t80 -99.38 -40.05 8.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.994 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.46 ' CD ' ' NE2' ' A' ' 26' ' ' HIS . 2.6 mm-40 -80.98 -30.42 35.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.368 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 40.3 t0 -58.87 -44.15 91.04 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.553 ' CG1' ' CMD' ' A' ' 95' ' ' HEM . 5.7 m -69.12 -15.26 19.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 59.62 84.18 0.05 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.454 1.096 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.804 ' CE1' ' CD1' ' A' ' 58' ' ' PHE . 35.7 m80 -70.75 140.17 51.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 109.573 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 68.1 m -82.2 169.94 16.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.94 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -50.07 -47.37 53.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.404 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 65' ' ' THR . 0.5 OUTLIER -40.4 -41.4 1.38 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.97 -46.92 66.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 65' ' ' THR . 43.4 ttt85 -42.95 -40.22 2.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.345 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.7 -49.96 48.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.582 1.176 . . . . 0.0 110.347 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 73' ' ' THR . 0.4 OUTLIER -60.58 -65.03 0.75 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.397 1.061 . . . . 0.0 109.287 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.589 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 2.3 p -37.19 -54.82 1.01 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.033 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.515 ' O ' ' CG2' ' A' ' 75' ' ' ILE . 10.6 tptt -60.3 -42.36 95.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.347 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.504 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -66.34 -30.11 70.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.615 1.197 . . . . 0.0 110.356 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.531 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 36.8 m-85 -100.11 38.4 1.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 111.062 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.588 HD13 ' CD1' ' A' ' 30' ' ' TYR . 8.0 tp -108.45 139.85 29.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.222 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.442 HG12 ' N ' ' A' ' 77' ' ' GLY . 0.2 OUTLIER -126.82 -34.98 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.446 1.091 . . . . 0.0 109.354 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.442 ' N ' HG12 ' A' ' 76' ' ' ILE . . . 167.85 -162.97 36.77 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.581 1.176 . . . . 0.0 111.032 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -121.06 170.0 9.95 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.558 0.799 . . . . 0.0 110.264 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.484 ' C ' ' CD2' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -108.55 151.1 26.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.581 ' CD2' ' HB2' ' A' ' 82' ' ' ASP . 4.3 t-160 -38.42 103.12 0.26 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.664 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -0.69 10.25 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.469 1.773 . . . . 0.0 110.961 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.581 ' HB2' ' CD2' ' A' ' 80' ' ' HIS . 6.4 t0 -79.4 -33.95 42.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.554 1.159 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -98.64 2.75 47.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.71 -14.97 24.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.7 t -85.36 -36.81 20.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.962 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.0 mttp -91.1 16.83 8.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 109.327 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -76.25 -38.26 33.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.348 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 -179.991 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' HEM . . . . . 1.511 HMA3 ' CMA' ' A' ' 95' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.494 ' CG1' ' CE1' ' A' ' 6' ' ' TYR . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.471 ' HA ' ' CE ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -115.4 121.43 42.75 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.495 1.122 . . . . 0.0 109.231 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.494 ' CE1' ' CG1' ' A' ' 4' ' ' VAL . 33.0 m-85 -100.79 118.67 37.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 111.026 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -109.24 152.29 25.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.943 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.4 p -80.64 151.46 28.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.352 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.71 -16.89 12.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.103 . . . . 0.0 109.323 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -68.27 -36.14 78.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.355 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.486 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -57.77 -74.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 110.292 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.486 ' C ' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -33.78 -46.87 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -53.17 -69.14 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 110.295 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 0.9 OUTLIER -56.23 -18.8 11.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.445 1.091 . . . . 0.0 109.326 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.406 ' NE2' ' HG3' ' A' ' 11' ' ' GLU . 75.3 m-70 -99.56 43.39 1.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.536 1.148 . . . . 0.0 109.597 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.4 ttpp -109.6 29.26 7.75 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.469 1.106 . . . . 0.0 109.337 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -126.83 161.19 28.82 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 14.1 m -49.63 -48.02 49.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.54 1.15 . . . . 0.0 109.956 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.458 ' O ' ' CG2' ' A' ' 33' ' ' THR . 0.0 OUTLIER -40.96 -54.43 2.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.5 m -139.96 98.22 3.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.565 1.166 . . . . 0.0 109.932 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.1 m -103.3 112.66 25.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.379 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.422 ' O ' ' C ' ' A' ' 50' ' ' ALA . 13.3 m0 -110.72 163.55 13.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 108.023 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.481 HG12 ' CD2' ' A' ' 32' ' ' LEU . 5.4 p -159.71 115.27 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 7.8 mt -65.34 110.95 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.355 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.577 HD21 ' CD2' ' A' ' 30' ' ' TYR . 1.1 mp -117.58 118.65 32.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.469 ' CE1' ' HB3' ' A' ' 25' ' ' LEU . 0.1 OUTLIER 39.7 53.83 2.5 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.54 1.15 . . . . 0.0 109.58 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.488 ' O ' ' CG ' ' A' ' 28' ' ' LYS . 1.3 m-70 59.46 51.83 6.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.64 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.488 ' CG ' ' O ' ' A' ' 27' ' ' HIS . 1.9 mtmm -169.4 109.22 0.44 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 0.0 109.253 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.447 ' CG1' ' HB3' ' A' ' 79' ' ' LEU . 10.1 m -68.88 140.48 18.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.577 ' CD2' HD21 ' A' ' 25' ' ' LEU . 4.3 m-30 -116.92 108.74 16.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -76.79 70.62 3.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.481 ' CD2' HG12 ' A' ' 23' ' ' VAL . 0.6 OUTLIER -89.78 42.66 1.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.458 ' CG2' ' O ' ' A' ' 19' ' ' LYS . 97.7 m -62.95 -53.0 60.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.16 . . . . 0.0 110.454 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -39.8 93.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.528 ' HB2' ' CZ ' ' A' ' 74' ' ' TYR . 86.7 t80 -89.62 18.49 5.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -73.92 -49.71 23.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.93 -8.29 52.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.326 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -86.07 -22.48 27.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.257 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.596 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 5.4 t-160 -49.85 126.25 18.69 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.596 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.596 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.0 Cg_endo -75.08 -30.07 7.44 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.595 1.839 . . . . 0.0 110.916 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.07 -68.11 1.78 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.439 1.087 . . . . 0.0 110.966 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.03 147.8 9.58 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -85.54 -25.94 26.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 0.745 . . . . 0.0 110.33 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 48' ' ' GLU . 6.5 mm-40 -77.17 -54.67 6.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 110.298 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.445 HG21 ' CAC' ' A' ' 95' ' ' HEM . 0.2 OUTLIER -39.97 -29.24 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.348 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.598 ' CD2' ' C2C' ' A' ' 95' ' ' HEM . 1.2 mt -84.79 -65.84 0.96 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -53.51 -54.92 30.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 110.284 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 44' ' ' GLU . 50.1 tt0 -35.8 -44.84 0.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.417 1.073 . . . . 0.0 110.269 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -131.49 49.03 2.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.261 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 46' ' ' LEU . . . -70.9 -93.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.353 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.434 ' CA ' ' HB ' ' A' ' 12' ' ' ILE . . . -39.16 -34.05 0.31 Allowed Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.571 1.17 . . . . 0.0 111.043 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 51' ' ' GLY . . . -59.64 -140.55 0.01 OUTLIER Glycine 0 CA--C 1.531 1.041 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -129.36 111.37 12.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.581 0.813 . . . . 0.0 109.274 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -113.57 25.38 11.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.266 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.8 m -57.14 -60.16 4.02 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.425 1.078 . . . . 0.0 110.422 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -63.33 -44.51 94.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.329 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -59.95 -19.9 54.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.543 ' CD2' HD23 ' A' ' 25' ' ' LEU . 0.4 OUTLIER -93.15 -39.8 10.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 111.005 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -77.86 -37.59 47.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 110.273 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -56.88 -43.63 81.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.534 ' CG1' ' CMD' ' A' ' 95' ' ' HEM . 5.4 m -69.92 -16.8 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 58.92 85.4 0.04 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.514 1.134 . . . . 0.0 110.977 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.418 ' CE1' ' CG2' ' A' ' 61' ' ' VAL . 30.7 m80 -70.05 139.82 52.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 0.75 . . . . 0.0 109.644 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.2 p -83.29 168.96 16.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.059 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -50.38 -42.09 52.88 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 0.0 110.406 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -45.25 -40.34 7.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.63 -47.89 68.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.7 mmt-85 -48.46 -24.69 1.35 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 110.343 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -76.23 -55.45 5.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.284 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.494 ' O ' ' C ' ' A' ' 71' ' ' SER . 0.1 OUTLIER -66.35 -61.33 2.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.247 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.575 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -31.75 -55.9 0.28 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.436 1.085 . . . . 0.0 110.026 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.46 -53.18 61.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.475 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.7 OUTLIER -57.63 -29.33 64.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.399 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.528 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 45.7 m-85 -99.85 39.04 1.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 0.0 110.961 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.411 ' CD1' ' HE3' ' A' ' 28' ' ' LYS . 7.3 tt -114.61 140.09 37.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.462 HG12 ' N ' ' A' ' 77' ' ' GLY . 0.2 OUTLIER -123.75 -38.3 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.462 ' N ' HG12 ' A' ' 76' ' ' ILE . . . 176.15 -166.53 37.68 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.543 1.152 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -116.1 167.28 11.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 0.745 . . . . 0.0 110.279 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.585 ' O ' ' CD1' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -99.07 141.4 31.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.216 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.522 ' N ' HD23 ' A' ' 79' ' ' LEU . 0.8 OUTLIER -38.75 112.83 0.72 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.638 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -0.31 9.83 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.491 1.785 . . . . 0.0 110.973 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -79.04 -43.22 24.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.361 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -93.77 -13.63 27.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.357 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.98 -36.62 77.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.3 t -89.78 11.39 20.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 109.947 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.24 26.17 6.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.418 ' N ' HD12 ' A' ' 87' ' ' ILE . 1.8 mp -99.71 -59.03 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.33 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.077 . . . . 0.0 109.394 179.935 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' HEM . . . . . 1.492 HMA3 ' CMA' ' A' ' 95' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.475 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 8.7 mmmm -115.0 123.34 48.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -100.74 116.18 32.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 111.012 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.475 ' CE1' ' HB3' ' A' ' 5' ' ' LYS . 6.3 m-85 -107.2 138.17 43.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 111.009 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.1 p -69.57 157.31 37.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.571 1.169 . . . . 0.0 110.36 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.4 ' N ' HD21 ' A' ' 9' ' ' LEU . 1.3 pt? -58.55 -15.26 10.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.411 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 0.5 OUTLIER -68.62 -39.81 80.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.327 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.54 ' CG ' ' NE2' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -54.93 -73.38 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.328 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.511 ' C ' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -30.71 -57.22 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -42.54 -57.7 2.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 110.339 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 11' ' ' GLU . 46.2 mmtt -52.17 -44.31 64.56 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.507 1.13 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.54 ' NE2' ' CG ' ' A' ' 11' ' ' GLU . 3.6 m-70 -79.34 59.09 2.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.087 . . . . 0.0 109.595 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -110.1 15.77 22.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -122.93 169.09 11.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.428 ' O ' ' CG2' ' A' ' 33' ' ' THR . 0.9 OUTLIER -58.75 -44.95 90.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.023 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.2 mttm -45.31 -45.39 12.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.6 m -139.96 100.1 3.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.971 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 m -109.27 110.0 21.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.39 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.421 ' CZ3' ' CD2' ' A' ' 7' ' ' TYR . 8.2 m0 -115.12 159.66 20.61 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.566 1.166 . . . . 0.0 107.995 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.463 HG12 ' CD2' ' A' ' 32' ' ' LEU . 3.9 p -158.64 120.67 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.325 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 6.1 mt -69.38 115.4 8.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.585 HD22 ' CE2' ' A' ' 30' ' ' TYR . 1.7 mp -122.27 115.21 21.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.364 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.563 ' O ' ' CG ' ' A' ' 27' ' ' HIS . 14.3 p-80 39.2 60.53 1.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.167 . . . . 0.0 109.569 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.563 ' CG ' ' O ' ' A' ' 26' ' ' HIS . 32.6 p-80 52.98 51.7 15.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.624 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -169.41 100.62 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.342 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.483 ' CG1' ' HB3' ' A' ' 79' ' ' LEU . 5.7 m -63.95 141.99 17.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.586 ' CE2' ' HB3' ' A' ' 71' ' ' SER . 4.5 m-30 -117.68 107.68 14.5 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.501 1.126 . . . . 0.0 110.965 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -76.95 79.11 3.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.463 ' CD2' HG12 ' A' ' 23' ' ' VAL . 0.6 OUTLIER -98.68 54.22 1.03 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 0.0 109.321 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.428 ' CG2' ' O ' ' A' ' 18' ' ' SER . 89.6 m -74.9 -45.57 41.79 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 110.433 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.14 -37.69 69.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.537 ' HB2' ' CZ ' ' A' ' 74' ' ' TYR . 91.7 t80 -88.91 14.93 9.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -69.91 -48.72 57.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.68 -7.96 53.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 110.335 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.33 -24.79 25.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 110.325 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.55 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 5.9 t-160 -50.25 125.19 19.11 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.567 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.55 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.5 Cg_endo -74.95 -28.33 9.36 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.474 1.776 . . . . 0.0 111.035 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.97 -68.61 1.6 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.511 1.132 . . . . 0.0 111.032 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.1 144.28 7.48 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.77 -9.59 58.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 0.746 . . . . 0.0 110.303 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.479 ' O ' ' N ' ' A' ' 48' ' ' GLU . 0.5 OUTLIER -94.8 -54.04 3.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 110.319 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 44' ' ' GLU . 0.2 OUTLIER -39.97 -29.14 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.533 ' CD2' ' C2C' ' A' ' 95' ' ' HEM . 0.7 OUTLIER -82.95 -64.16 1.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 109.327 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.45 ' O ' ' C ' ' A' ' 48' ' ' GLU . 10.6 mtm180 -54.67 -55.37 30.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 44' ' ' GLU . 4.9 tt0 -34.05 -41.1 0.1 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 110.261 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -136.24 46.59 2.27 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 0.0 110.315 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 46' ' ' LEU . . . -67.31 -93.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.422 ' CA ' ' HB ' ' A' ' 12' ' ' ILE . . . -40.04 -30.65 0.26 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.545 1.153 . . . . 0.0 111.018 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 51' ' ' GLY . . . -60.35 -138.18 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -134.29 110.86 9.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 0.791 . . . . 0.0 109.271 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 58' ' ' PHE . . . -114.05 21.18 15.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.8 m -50.26 -58.61 5.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.419 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.521 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 5.7 mt-10 -69.46 -41.92 75.59 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.494 1.122 . . . . 0.0 110.264 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -64.31 -12.0 37.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.784 ' CD1' ' CE1' ' A' ' 63' ' ' HIS . 68.9 t80 -99.08 -49.33 4.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.988 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 60' ' ' ASP . 1.0 OUTLIER -75.86 -27.97 58.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.309 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.521 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 14.1 t0 -59.37 -46.13 89.5 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.502 ' CG1' ' CMD' ' A' ' 95' ' ' HEM . 8.0 m -66.01 -18.17 23.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 66.53 84.4 0.09 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.461 1.1 . . . . 0.0 110.925 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.784 ' CE1' ' CD1' ' A' ' 58' ' ' PHE . 36.6 m80 -72.82 140.08 47.42 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 0.756 . . . . 0.0 109.554 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.56 169.75 14.1 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.528 1.142 . . . . 0.0 109.993 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 68' ' ' ARG . 0.9 OUTLIER -49.49 -45.19 46.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.339 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -42.05 -37.95 1.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.346 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -73.12 -45.71 55.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.232 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 65' ' ' THR . 1.0 OUTLIER -48.44 -25.83 1.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.09 . . . . 0.0 110.309 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.43 -52.89 7.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.327 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.492 ' O ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -64.52 -62.75 1.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.358 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.586 ' HB3' ' CE2' ' A' ' 30' ' ' TYR . 34.3 m -32.07 -54.5 0.3 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.947 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.401 ' O ' ' CG2' ' A' ' 75' ' ' ILE . 0.0 OUTLIER -59.96 -53.91 52.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.46 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.7 OUTLIER -56.32 -29.6 61.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.355 -179.928 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.537 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 45.9 m-85 -100.12 37.21 1.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.401 ' CG2' ' O ' ' A' ' 72' ' ' LYS . 7.1 tt -112.62 140.58 31.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.46 HG12 ' N ' ' A' ' 77' ' ' GLY . 0.2 OUTLIER -124.12 -38.38 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.46 ' N ' HG12 ' A' ' 76' ' ' ILE . . . 179.83 -157.67 20.7 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.484 1.115 . . . . 0.0 111.012 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -125.29 160.3 29.62 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 0.769 . . . . 0.0 110.351 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.535 ' O ' ' CD1' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -83.22 144.22 29.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.074 . . . . 0.0 109.272 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.612 ' CD2' ' HB3' ' A' ' 82' ' ' ASP . 4.7 t60 -37.39 117.78 0.82 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.6 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -13.18 21.43 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.562 1.822 . . . . 0.0 110.991 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.612 ' HB3' ' CD2' ' A' ' 80' ' ' HIS . 16.0 t0 -80.12 -27.84 39.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.58 1.175 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.519 ' OD2' ' CD2' ' A' ' 79' ' ' LEU . 0.3 OUTLIER -91.7 -30.55 16.23 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.446 1.091 . . . . 0.0 109.272 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.09 -26.86 66.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.586 1.178 . . . . 0.0 110.329 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.0 m -103.36 43.38 1.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 0.0 110.11 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -99.72 36.33 1.82 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -96.55 -52.66 9.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 179.984 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' HEM . . . . . 1.527 HMA3 ' CMA' ' A' ' 95' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.42 ' CG1' ' CE1' ' A' ' 6' ' ' TYR . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.456 ' HG3' ' CE1' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -110.85 120.02 41.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.588 1.18 . . . . 0.0 109.28 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.42 ' CE1' ' CG1' ' A' ' 4' ' ' VAL . 29.4 m-85 -100.98 117.5 35.15 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.465 1.103 . . . . 0.0 111.022 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.456 ' CE1' ' HG3' ' A' ' 5' ' ' LYS . 13.7 m-85 -107.84 150.2 27.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.389 1.055 . . . . 0.0 111.041 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.409 ' C ' ' N ' ' A' ' 10' ' ' GLU . 2.2 p -84.75 146.93 27.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.395 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -49.38 -21.63 0.94 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.409 ' N ' ' C ' ' A' ' 8' ' ' THR . 3.0 mt-10 -61.93 -29.7 70.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 110.269 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.469 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -67.32 -75.05 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.296 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.469 ' C ' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -35.28 -41.59 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -57.21 -77.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.418 ' HE3' ' NE2' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -50.29 -24.33 2.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 109.373 179.909 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.454 ' CD2' ' HG2' ' A' ' 11' ' ' GLU . 69.9 m-70 -94.22 44.53 1.12 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.603 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.8 ttpt -110.18 22.41 15.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -118.4 169.38 9.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.58 -44.96 81.55 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.521 1.138 . . . . 0.0 110.003 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.56 -51.94 11.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.5 m -135.44 96.33 3.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.049 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 m -98.45 109.87 22.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 110.402 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.442 ' CD1' ' HA ' ' A' ' 31' ' ' ASP . 12.7 m0 -118.16 157.03 27.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 108.009 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.43 HG12 ' CD2' ' A' ' 32' ' ' LEU . 3.4 p -156.04 125.25 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 59.9 mt -68.34 116.34 8.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.597 HD21 ' CD2' ' A' ' 30' ' ' TYR . 2.4 mp -129.77 137.16 50.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 109.365 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.435 ' C ' ' O ' ' A' ' 25' ' ' LEU . 18.1 m80 37.64 36.32 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.587 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 70.0 48.2 0.55 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.598 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.552 ' CG ' ' O ' ' A' ' 25' ' ' LEU . 5.3 ptpp? -170.18 127.17 0.83 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.468 HG22 ' CD1' ' A' ' 76' ' ' ILE . 15.1 m -67.48 146.71 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.597 ' CD2' HD21 ' A' ' 25' ' ' LEU . 2.0 m-30 -120.26 96.85 5.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.962 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.442 ' HA ' ' CD1' ' A' ' 22' ' ' TRP . 22.5 t0 -64.73 78.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.43 ' CD2' HG12 ' A' ' 23' ' ' VAL . 0.5 OUTLIER -102.33 41.68 1.21 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 109.329 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 88.7 m -66.06 -46.87 76.24 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.479 1.112 . . . . 0.0 110.366 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.422 ' NZ ' ' OD2' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -68.05 -43.05 79.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 74' ' ' TYR . 93.5 t80 -89.99 24.82 2.3 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 111.034 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.403 ' C ' ' CD1' ' A' ' 36' ' ' LEU . 1.3 tm? -76.68 -47.49 21.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -90.12 -11.66 40.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.289 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -82.08 -22.25 36.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.333 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.582 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 4.7 t-160 -49.94 126.57 19.65 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 109.601 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.582 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.4 Cg_endo -75.01 -29.58 8.05 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.532 1.806 . . . . 0.0 110.985 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.29 -67.01 2.15 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.545 1.153 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.06 144.18 7.43 Favored Glycine 0 CA--C 1.531 1.057 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.53 -11.14 56.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.583 0.813 . . . . 0.0 110.294 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.474 ' O ' ' N ' ' A' ' 48' ' ' GLU . 1.0 OUTLIER -92.8 -53.38 4.19 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.488 1.118 . . . . 0.0 110.323 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.407 HG21 ' CAC' ' A' ' 95' ' ' HEM . 0.2 OUTLIER -41.02 -27.67 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.527 ' CD2' ' C2C' ' A' ' 95' ' ' HEM . 0.7 OUTLIER -84.97 -61.01 1.88 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.456 ' O ' ' C ' ' A' ' 48' ' ' GLU . 8.4 mtm180 -58.58 -57.16 14.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.294 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 44' ' ' GLU . 7.1 tt0 -34.02 -44.79 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 110.308 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -132.15 51.83 2.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 22' ' ' TRP . . . -73.87 -91.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.349 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -41.47 -31.02 0.59 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.555 1.159 . . . . 0.0 111.035 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.53 -137.55 0.01 OUTLIER Glycine 0 CA--C 1.53 0.969 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -132.98 110.98 10.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 0.737 . . . . 0.0 109.295 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 58' ' ' PHE . . . -113.97 18.19 17.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.353 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.8 m -49.95 -61.52 2.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 110.425 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -66.63 -41.94 87.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 0.0 110.271 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -64.13 -13.56 48.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.814 ' CD1' ' CE1' ' A' ' 63' ' ' HIS . 72.6 t80 -99.1 -40.45 8.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 110.978 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -80.09 -33.75 38.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.616 1.197 . . . . 0.0 110.34 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -57.44 -43.78 84.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.505 ' CG2' ' CE1' ' A' ' 63' ' ' HIS . 7.8 m -67.4 -15.19 19.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 59.11 84.9 0.04 OUTLIER Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.526 1.141 . . . . 0.0 110.972 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.814 ' CE1' ' CD1' ' A' ' 58' ' ' PHE . 34.4 m80 -71.9 140.16 49.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 0.765 . . . . 0.0 109.601 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 20.5 m -81.23 169.98 16.66 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.427 1.08 . . . . 0.0 109.979 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -50.44 -47.46 56.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 110.407 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -40.58 -40.62 1.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.48 -46.63 59.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.24 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 65' ' ' THR . 80.4 mtt-85 -44.14 -34.29 1.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.59 1.181 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -76.37 -56.24 4.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.335 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.557 ' O ' ' N ' ' A' ' 73' ' ' THR . 0.3 OUTLIER -53.31 -61.48 2.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.593 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 8.0 p -40.3 -57.63 1.7 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.105 . . . . 0.0 109.976 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.444 ' O ' ' CG2' ' A' ' 75' ' ' ILE . 3.8 tttm -58.74 -28.85 66.26 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.413 1.07 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.557 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -80.03 -30.01 39.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.419 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.566 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 34.8 m-85 -100.18 37.13 1.71 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.091 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.487 HD13 ' CE1' ' A' ' 30' ' ' TYR . 9.8 tp -107.46 139.8 28.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.468 ' CD1' HG22 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -123.63 -33.75 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.434 1.084 . . . . 0.0 109.291 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 173.31 -163.69 35.26 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -124.53 164.91 18.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 0.722 . . . . 0.0 110.303 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.46 ' C ' ' CD2' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -98.32 147.52 24.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.427 ' O ' HD23 ' A' ' 79' ' ' LEU . 0.1 OUTLIER -43.65 114.44 1.74 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.597 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -5.1 16.35 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.422 1.749 . . . . 0.0 110.954 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -79.92 -33.1 40.07 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.447 1.092 . . . . 0.0 109.347 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -99.84 -17.06 17.83 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.532 1.145 . . . . 0.0 109.355 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.1 -17.56 40.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.308 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 48.7 m -107.55 53.65 0.68 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.502 1.126 . . . . 0.0 109.998 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.32 21.34 5.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.9 tp -71.19 -31.52 44.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.434 1.084 . . . . 0.0 109.312 179.957 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' HEM . . . . . 1.506 HMA3 ' CMA' ' A' ' 95' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.401 ' CG1' ' CE1' ' A' ' 6' ' ' TYR . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.573 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -112.96 122.69 48.4 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.535 1.147 . . . . 0.0 109.369 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.401 ' CE1' ' CG1' ' A' ' 4' ' ' VAL . 30.4 m-85 -100.46 122.36 43.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 111.013 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.573 ' CE1' ' HB3' ' A' ' 5' ' ' LYS . 9.6 m-85 -109.74 148.68 30.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 111.048 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.9 p -75.12 155.75 36.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.403 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -62.56 -14.43 42.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.155 . . . . 0.0 109.355 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.82 -35.66 77.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.589 1.181 . . . . 0.0 110.303 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -59.32 -71.2 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.338 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.446 ' C ' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -36.49 -47.58 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.349 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.423 ' C ' ' N ' ' A' ' 15' ' ' HIS . 6.4 mm-40 -54.82 -81.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.203 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.412 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 0.2 OUTLIER -45.01 -26.32 0.42 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.579 1.174 . . . . 0.0 109.307 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.423 ' N ' ' C ' ' A' ' 13' ' ' GLN . 85.8 m-70 -95.13 45.49 1.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.08 . . . . 0.0 109.629 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -109.69 26.82 10.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -122.39 169.21 11.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.02 -48.67 75.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.586 1.179 . . . . 0.0 110.021 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.4 ' O ' ' CG2' ' A' ' 33' ' ' THR . 0.6 OUTLIER -40.9 -51.84 3.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.427 1.079 . . . . 0.0 109.305 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.4 m -138.43 94.14 2.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.998 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.7 m -96.69 113.36 24.92 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.142 . . . . 0.0 110.431 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 9.2 m0 -118.38 156.97 28.03 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.2 p -158.29 116.59 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 109.316 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.8 mt -64.07 112.71 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.171 . . . . 0.0 109.244 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.574 HD22 ' CE2' ' A' ' 30' ' ' TYR . 0.7 OUTLIER -120.31 120.59 36.48 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.405 ' HE1' ' CE1' ' A' ' 58' ' ' PHE . 0.3 OUTLIER 39.97 54.4 2.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.581 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.412 ' CG ' HH11 ' A' ' 84' ' ' ARG . 6.7 m170 56.83 50.43 12.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.611 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.01 103.13 0.3 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.446 HG22 ' CD1' ' A' ' 76' ' ' ILE . 7.9 m -60.88 142.42 15.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.592 ' CE2' ' HB3' ' A' ' 71' ' ' SER . 3.6 m-30 -116.97 109.85 17.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.938 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -80.55 81.83 6.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.088 . . . . 0.0 109.32 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -99.42 43.17 1.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.4 ' CG2' ' O ' ' A' ' 19' ' ' LYS . 80.4 m -60.57 -48.22 82.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.427 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.97 -40.12 72.12 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.605 1.191 . . . . 0.0 109.317 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.586 ' CD2' ' O ' ' A' ' 35' ' ' TYR . 80.9 t80 -89.96 25.98 1.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 111.072 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.417 HD11 ' N ' ' A' ' 37' ' ' GLU . 1.7 tm? -82.0 -49.86 9.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.232 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.417 ' N ' HD11 ' A' ' 36' ' ' LEU . 2.3 pt-20 -90.14 -6.89 54.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.27 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -87.63 -22.95 24.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.254 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.596 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 4.8 t-160 -50.05 126.76 20.59 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.564 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.596 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.4 Cg_endo -75.02 -28.74 8.87 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.512 1.796 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.47 -68.75 1.55 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.558 1.161 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.05 150.02 11.33 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -86.22 -27.08 24.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 0.771 . . . . 0.0 110.296 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.539 ' O ' ' N ' ' A' ' 48' ' ' GLU . 3.1 mt-10 -76.31 -54.73 6.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.425 1.078 . . . . 0.0 110.28 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.414 ' O ' ' CBC' ' A' ' 95' ' ' HEM . 0.2 OUTLIER -39.88 -28.98 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.534 ' CD2' ' C2C' ' A' ' 95' ' ' HEM . 1.2 mt -86.01 -57.85 2.87 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.536 1.148 . . . . 0.0 109.327 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.464 ' O ' ' C ' ' A' ' 48' ' ' GLU . 27.0 mtm180 -61.56 -57.87 10.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.414 1.071 . . . . 0.0 110.308 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.539 ' N ' ' O ' ' A' ' 44' ' ' GLU . 4.8 tt0 -33.52 -44.84 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 110.272 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -131.12 52.1 2.09 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.518 1.136 . . . . 0.0 110.327 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.37 -91.32 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.427 1.08 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.41 ' O ' ' HB ' ' A' ' 12' ' ' ILE . . . -39.77 -32.08 0.3 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.485 1.116 . . . . 0.0 110.974 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 51' ' ' GLY . . . -60.23 -138.8 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -133.87 110.99 10.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.527 0.781 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -110.18 28.56 8.5 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.515 1.134 . . . . 0.0 109.242 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.8 m -56.5 -69.64 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 110.355 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -60.65 -37.42 81.46 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.477 1.111 . . . . 0.0 110.333 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -62.55 -24.13 67.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.264 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.507 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 0.4 OUTLIER -90.84 -39.96 12.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 110.916 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -76.57 -35.38 58.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.437 1.085 . . . . 0.0 110.313 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -57.89 -43.36 86.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.08 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.538 ' CG1' ' CMD' ' A' ' 95' ' ' HEM . 5.3 m -71.03 -15.38 18.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 58.79 85.1 0.04 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.509 1.131 . . . . 0.0 111.013 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.416 ' CE1' ' CG2' ' A' ' 61' ' ' VAL . 31.1 m80 -70.03 139.84 52.75 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.495 0.762 . . . . 0.0 109.534 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -81.7 170.01 16.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.008 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -50.74 -47.65 59.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.465 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -41.54 -40.1 1.76 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 109.244 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.67 -48.34 69.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.359 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 65' ' ' THR . 11.9 mtt-85 -45.89 -34.45 3.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.274 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -71.43 -56.1 6.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.329 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.476 ' N ' HD12 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -58.96 -62.41 1.9 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.553 1.158 . . . . 0.0 109.335 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.592 ' HB3' ' CE2' ' A' ' 30' ' ' TYR . 58.8 m -32.86 -58.86 0.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.971 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.85 -51.28 68.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.463 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -57.7 -32.64 67.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.132 . . . . 0.0 110.468 179.932 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.533 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 51.1 m-85 -99.86 41.81 1.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.977 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.1 tt -116.7 139.88 41.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.551 1.157 . . . . 0.0 109.333 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.46 HG12 ' N ' ' A' ' 77' ' ' GLY . 0.2 OUTLIER -123.03 -38.07 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.46 ' N ' HG12 ' A' ' 76' ' ' ILE . . . 173.78 -164.06 35.41 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.501 1.126 . . . . 0.0 111.042 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -120.49 163.96 17.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 0.78 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.575 ' O ' ' CD1' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -91.79 148.38 22.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.335 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.528 ' N ' HD23 ' A' ' 79' ' ' LEU . 0.9 OUTLIER -42.02 115.45 1.52 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.57 1.169 . . . . 0.0 109.638 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.561 ' CB ' ' NE ' ' A' ' 84' ' ' ARG . 18.4 Cg_endo -75.05 -3.08 13.4 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.598 1.841 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -80.56 -39.62 27.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 109.324 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -99.77 -10.73 21.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.561 ' NE ' ' CB ' ' A' ' 81' ' ' PRO . 3.1 ptt180 -60.53 -29.19 68.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 0.0 110.302 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.78 46.21 1.03 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.569 1.168 . . . . 0.0 109.998 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.7 33.95 2.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.371 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.8 mp -99.69 -58.42 3.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.422 0 O-C-N 124.492 1.12 . . . . 0.0 109.358 179.95 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' HEM . . . . . 1.508 HMA3 ' CMA' ' A' ' 95' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.575 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -116.71 125.2 51.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.412 1.07 . . . . 0.0 109.313 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -100.83 114.08 27.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 0.0 111.048 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.575 ' CE1' ' HB3' ' A' ' 5' ' ' LYS . 16.4 m-85 -104.69 151.0 24.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.105 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.9 p -78.43 149.38 33.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 110.381 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.426 ' HB2' ' CD1' ' A' ' 87' ' ' ILE . 2.1 pt? -54.43 -16.33 2.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -69.15 -39.1 79.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.166 . . . . 0.0 110.329 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.432 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -52.52 -67.52 0.25 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 110.278 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.457 ' HB ' ' CA ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -43.94 -50.74 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.266 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -48.44 -76.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.432 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -50.93 -30.45 14.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.408 1.068 . . . . 0.0 109.263 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.43 ' N ' ' O ' ' A' ' 11' ' ' GLU . 80.6 m-70 -90.42 44.4 1.2 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.513 1.133 . . . . 0.0 109.594 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.0 tttt -110.41 31.2 6.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.435 1.085 . . . . 0.0 109.347 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.75 168.72 15.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.108 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -52.72 -51.02 62.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.039 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 18' ' ' SER . 2.4 tttt -40.33 -53.41 2.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.9 m -135.37 96.22 3.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.425 1.078 . . . . 0.0 110.038 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.9 m -99.0 113.37 25.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 110.489 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.442 ' O ' ' C ' ' A' ' 50' ' ' ALA . 10.2 m0 -119.54 159.34 24.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.557 1.16 . . . . 0.0 107.981 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.2 p -158.21 116.16 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.377 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 9.9 mt -65.64 119.59 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.574 HD21 ' CD2' ' A' ' 30' ' ' TYR . 1.5 mp -126.59 117.57 23.07 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 10.3 p-80 39.17 56.48 2.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.58 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 57.34 52.1 9.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.589 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -170.08 105.02 0.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.352 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.429 ' CG2' HD11 ' A' ' 76' ' ' ILE . 5.9 m -67.21 142.01 17.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 0.0 109.261 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.606 ' CE2' ' HB3' ' A' ' 71' ' ' SER . 4.6 m-30 -117.31 110.74 18.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 110.992 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -81.18 79.73 7.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.308 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 36' ' ' LEU . 0.7 OUTLIER -96.8 41.98 1.1 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 109.271 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 95.5 m -61.41 -46.03 91.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 0.0 110.394 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.13 -39.2 68.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.539 ' HB2' ' CZ ' ' A' ' 74' ' ' TYR . 90.0 t80 -90.12 16.18 8.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.959 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 32' ' ' LEU . 1.7 tm? -71.23 -49.89 38.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.412 ' N ' HD11 ' A' ' 36' ' ' LEU . 0.1 OUTLIER -89.63 -8.0 53.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.427 1.08 . . . . 0.0 110.293 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -86.03 -22.72 27.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 110.317 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.569 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 5.2 t-160 -49.87 125.53 17.88 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.615 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.569 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.5 Cg_endo -74.94 -31.44 6.31 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.43 1.753 . . . . 0.0 111.041 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.76 -67.57 1.99 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.493 1.121 . . . . 0.0 110.97 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.11 149.14 10.49 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -85.9 -34.78 20.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 0.75 . . . . 0.0 110.371 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.504 ' O ' ' N ' ' A' ' 48' ' ' GLU . 2.8 mm-40 -68.76 -54.04 18.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.449 HG21 ' CAC' ' A' ' 95' ' ' HEM . 0.2 OUTLIER -39.84 -29.68 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.592 1.182 . . . . 0.0 109.248 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.561 ' CD2' ' C2C' ' A' ' 95' ' ' HEM . 0.9 OUTLIER -85.9 -61.43 1.75 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.459 ' O ' ' C ' ' A' ' 48' ' ' GLU . 0.2 OUTLIER -56.67 -56.74 17.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.314 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' A' ' 44' ' ' GLU . 4.2 tp10 -33.79 -45.44 0.19 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.546 1.154 . . . . 0.0 110.317 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -133.46 52.33 2.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 110.35 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.442 ' C ' ' O ' ' A' ' 22' ' ' TRP . . . -72.83 -89.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.457 ' CA ' ' HB ' ' A' ' 12' ' ' ILE . . . -41.49 -32.85 0.84 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.595 1.184 . . . . 0.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 51' ' ' GLY . . . -59.67 -139.88 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -131.42 110.13 10.81 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.484 0.755 . . . . 0.0 109.317 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.4 ' O ' ' HB2' ' A' ' 58' ' ' PHE . . . -114.63 29.53 7.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 109.243 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.5 m -58.64 -60.34 3.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.401 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.415 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 2.5 mp0 -64.64 -40.49 95.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.296 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -65.54 -15.46 62.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.322 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.822 ' CD1' ' CE1' ' A' ' 63' ' ' HIS . 73.7 t80 -98.0 -40.75 8.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 111.041 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -79.99 -33.64 39.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 110.252 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.415 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 30.2 t70 -57.32 -45.52 84.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.506 ' CG1' ' CMD' ' A' ' 95' ' ' HEM . 10.9 m -65.75 -18.64 24.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.42 1.075 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 63.12 83.07 0.08 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.822 ' CE1' ' CD1' ' A' ' 58' ' ' PHE . 35.7 m80 -70.74 138.91 50.92 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.44 0.729 . . . . 0.0 109.607 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.2 p -81.07 170.17 16.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.983 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -51.32 -42.81 61.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.118 . . . . 0.0 110.405 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -43.78 -40.64 4.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.357 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.3 -46.09 71.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.335 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -41.24 -48.35 3.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 110.319 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -61.97 -53.02 61.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 0.0 110.261 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.471 ' O ' ' C ' ' A' ' 71' ' ' SER . 2.4 mp -57.56 -67.18 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.596 1.185 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.606 ' HB3' ' CE2' ' A' ' 30' ' ' TYR . 26.1 m -33.12 -55.14 0.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 110.007 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.21 -52.65 64.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.587 1.179 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.46 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.7 OUTLIER -57.17 -32.09 66.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.471 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.539 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 58.8 m-85 -100.04 42.04 1.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.975 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.9 tt -116.46 140.26 39.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.425 1.078 . . . . 0.0 109.297 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.468 HG12 ' N ' ' A' ' 77' ' ' GLY . 0.2 OUTLIER -123.13 -38.74 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.468 ' N ' HG12 ' A' ' 76' ' ' ILE . . . 172.64 -168.31 41.34 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.491 1.12 . . . . 0.0 110.991 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -114.58 170.11 8.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 0.768 . . . . 0.0 110.25 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.462 ' C ' ' CD2' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -102.24 147.53 26.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.353 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.423 ' O ' HD23 ' A' ' 79' ' ' LEU . 0.3 OUTLIER -42.51 114.4 1.44 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.561 -179.929 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -1.85 11.77 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.529 1.805 . . . . 0.0 110.968 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -79.74 -35.79 38.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -100.14 -14.62 18.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.444 ' O ' ' NH1' ' A' ' 84' ' ' ARG . 0.0 OUTLIER -59.86 -36.26 76.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 110.315 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.7 t -66.97 -44.98 79.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.417 1.073 . . . . 0.0 109.967 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.5 mttt -92.36 28.08 2.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.426 ' CD1' ' HB2' ' A' ' 9' ' ' LEU . 5.3 tp -76.54 -32.35 21.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.482 1.114 . . . . 0.0 109.251 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.411 ' N ' HG21 ' A' ' 87' ' ' ILE . . . . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' HEM . . . . . 1.516 HMA3 ' CMA' ' A' ' 95' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.494 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 9.2 mmmm -116.26 124.0 49.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.393 1.058 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -101.0 105.92 17.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.989 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.494 ' CE1' ' HB3' ' A' ' 5' ' ' LYS . 10.5 m-85 -95.51 147.93 23.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.2 p -77.86 147.99 34.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.344 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.415 ' O ' HG12 ' A' ' 12' ' ' ILE . 0.9 OUTLIER -52.32 -19.83 2.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.54 -34.63 78.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.145 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.483 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -59.74 -72.33 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.248 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.445 ' C ' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -37.05 -41.55 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -59.93 -76.4 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 110.25 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.601 ' HD2' ' CE1' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -51.19 -21.4 2.01 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.601 ' CE1' ' HD2' ' A' ' 14' ' ' LYS . 73.4 m-70 -97.6 44.83 1.04 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.596 1.185 . . . . 0.0 109.652 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.7 tttt -110.04 34.74 3.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.257 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -129.85 168.55 16.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.245 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.78 -45.9 78.05 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 0.0 110.05 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.13 -51.97 9.75 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 109.367 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 m -137.08 96.08 3.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.992 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 m -100.74 112.64 25.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 110.363 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.409 ' CE3' HG23 ' A' ' 29' ' ' VAL . 13.0 m0 -117.62 161.01 20.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 108.017 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.4 ' CG1' ' HB2' ' A' ' 30' ' ' TYR . 7.3 p -158.15 123.71 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.548 1.155 . . . . 0.0 109.324 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.469 HG12 ' CD1' ' A' ' 79' ' ' LEU . 9.1 mt -70.2 113.25 5.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.081 . . . . 0.0 109.234 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.584 HD21 ' CD2' ' A' ' 30' ' ' TYR . 1.0 OUTLIER -123.03 115.74 22.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.329 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 41.37 57.44 2.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.604 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 55.36 52.92 10.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.642 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.09 112.63 0.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.09 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.438 ' CG1' ' HB3' ' A' ' 79' ' ' LEU . 8.0 m -71.41 139.7 19.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.585 ' CE2' ' HB2' ' A' ' 71' ' ' SER . 4.3 m-30 -116.18 109.96 18.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 111.01 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.401 ' OD1' ' OG1' ' A' ' 33' ' ' THR . 52.0 t0 -80.08 76.05 6.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.469 ' O ' ' N ' ' A' ' 36' ' ' LEU . 0.9 OUTLIER -90.99 37.87 0.94 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.152 . . . . 0.0 109.295 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.401 ' OG1' ' OD1' ' A' ' 31' ' ' ASP . 93.4 m -57.51 -52.65 64.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.525 1.14 . . . . 0.0 110.433 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.36 -36.02 76.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.558 ' OH ' ' CHB' ' A' ' 95' ' ' HEM . 73.0 t80 -89.99 16.02 9.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 32' ' ' LEU . 2.1 tm? -74.96 -48.01 26.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.408 1.067 . . . . 0.0 109.255 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -90.12 -6.98 54.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 110.298 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.68 -25.86 23.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.575 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 5.2 t-160 -50.31 126.47 21.62 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.42 1.075 . . . . 0.0 109.599 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.575 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.3 Cg_endo -74.95 -29.19 8.58 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.527 1.804 . . . . 0.0 110.987 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.0 -68.3 1.71 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.475 1.109 . . . . 0.0 110.989 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.1 151.45 13.02 Favored Glycine 0 CA--C 1.529 0.92 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -88.41 -18.06 29.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.433 0.725 . . . . 0.0 110.305 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 48' ' ' GLU . 4.5 mm-40 -86.58 -54.38 4.43 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.501 1.125 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' A' ' 44' ' ' GLU . 0.2 OUTLIER -40.01 -29.16 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.577 HD22 ' C3C' ' A' ' 95' ' ' HEM . 1.4 mt -84.68 -63.95 1.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.259 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -55.1 -55.72 27.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.218 -179.909 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' A' ' 44' ' ' GLU . 4.9 tt0 -35.08 -44.01 0.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.222 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -130.35 47.7 2.49 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 110.278 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.27 -93.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 52' ' ' GLY . . . -39.24 -32.06 0.21 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.564 1.165 . . . . 0.0 110.971 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 51' ' ' GLY . . . -59.85 -141.91 0.01 OUTLIER Glycine 0 CA--C 1.529 0.953 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.7 p-10 -129.08 112.45 14.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 0.734 . . . . 0.0 109.285 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -115.42 32.19 6.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 109.264 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.1 m -62.98 -63.59 1.16 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 110.355 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -63.7 -37.28 86.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -65.11 -22.4 66.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.262 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.501 ' CD2' HD23 ' A' ' 25' ' ' LEU . 0.5 OUTLIER -90.0 -40.0 12.6 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.571 1.169 . . . . 0.0 110.972 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -79.17 -35.46 41.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.13 . . . . 0.0 110.296 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -57.01 -44.88 83.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.511 ' CG1' ' CMD' ' A' ' 95' ' ' HEM . 7.4 m -68.56 -17.95 22.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 61.55 83.83 0.06 OUTLIER Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.48 1.113 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.48 ' CE1' ' CG2' ' A' ' 61' ' ' VAL . 36.0 m80 -70.69 140.07 51.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 0.725 . . . . 0.0 109.564 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.07 169.86 17.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.022 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -51.43 -47.34 63.04 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.547 1.154 . . . . 0.0 110.43 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -41.05 -41.97 1.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.83 -47.3 69.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 65' ' ' THR . 1.0 OUTLIER -39.75 -43.61 1.44 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 110.322 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.79 -58.51 4.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.306 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.507 ' O ' ' N ' ' A' ' 73' ' ' THR . 0.2 OUTLIER -48.96 -63.93 0.95 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.259 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.585 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 2.6 p -39.93 -53.96 2.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.031 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.515 ' O ' ' CG2' ' A' ' 75' ' ' ILE . 0.0 OUTLIER -61.72 -36.24 80.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.507 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -71.3 -31.09 67.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.441 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.555 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 40.1 m-85 -100.15 38.54 1.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 111.06 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.579 HD13 ' CD1' ' A' ' 30' ' ' TYR . 9.8 tp -107.75 139.71 28.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.45 HG12 ' N ' ' A' ' 77' ' ' GLY . 0.2 OUTLIER -125.15 -33.77 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.45 ' N ' HG12 ' A' ' 76' ' ' ILE . . . 165.56 -169.28 39.92 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.503 1.127 . . . . 0.0 110.963 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -115.08 168.52 9.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 0.737 . . . . 0.0 110.308 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.499 ' O ' ' C ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -108.61 150.35 27.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.581 ' CD2' ' HB2' ' A' ' 82' ' ' ASP . 4.0 t-160 -32.41 105.28 0.24 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.548 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.13 -3.84 14.5 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.419 1.747 . . . . 0.0 110.909 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.581 ' HB2' ' CD2' ' A' ' 80' ' ' HIS . 1.9 t0 -80.22 -37.05 33.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 109.254 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.407 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 0.6 OUTLIER -100.17 21.39 12.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.23 -0.1 33.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.243 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.3 m -107.62 -99.79 0.36 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.566 1.166 . . . . 0.0 110.028 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -100.21 -29.11 12.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 109.392 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.5 mp -65.83 -12.66 14.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.254 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.407 ' CB ' ' O ' ' A' ' 83' ' ' ASP . . . . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 109.35 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' HEM . . . . . 1.515 HMA3 ' CMA' ' A' ' 95' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.463 ' CG1' ' CE1' ' A' ' 6' ' ' TYR . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.456 ' HB3' ' CZ ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -110.2 120.13 41.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.588 1.18 . . . . 0.0 109.254 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.463 ' CE1' ' CG1' ' A' ' 4' ' ' VAL . 31.8 m-85 -100.23 109.07 21.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.135 . . . . 0.0 111.042 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.456 ' CZ ' ' HB3' ' A' ' 5' ' ' LYS . 29.4 m-85 -99.41 155.77 17.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 111.038 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.402 ' C ' ' N ' ' A' ' 10' ' ' GLU . 1.7 p -84.98 143.83 28.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.473 1.108 . . . . 0.0 110.41 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.412 ' O ' HG12 ' A' ' 12' ' ' ILE . 1.0 OUTLIER -49.14 -21.87 0.84 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.402 ' N ' ' C ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -63.77 -32.24 73.68 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.553 1.158 . . . . 0.0 110.295 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.508 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -61.78 -76.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 110.267 -179.908 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.508 ' C ' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -32.35 -42.51 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 0.0 109.289 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 11' ' ' GLU . 11.1 mm-40 -57.01 -74.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.282 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -51.61 -27.56 11.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.367 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.42 ' NE2' ' HG3' ' A' ' 11' ' ' GLU . 74.8 m-70 -93.26 46.78 1.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.63 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -110.0 28.59 8.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 109.284 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -126.1 169.76 12.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 0.0 109.336 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.5 m -54.7 -48.72 72.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.017 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -42.16 -57.62 2.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.409 ' O ' ' O ' ' A' ' 15' ' ' HIS . 57.8 m -129.89 90.87 3.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.027 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 m -96.35 110.51 22.83 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.532 1.145 . . . . 0.0 110.422 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 15.6 m0 -117.78 160.05 22.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.137 . . . . 0.0 107.947 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.438 ' CG1' ' HB2' ' A' ' 30' ' ' TYR . 9.5 p -155.54 124.73 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 20.6 mt -70.88 114.68 9.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.563 1.164 . . . . 0.0 109.307 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.571 HD21 ' CD2' ' A' ' 30' ' ' TYR . 2.2 mp -126.75 133.76 50.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.429 ' C ' ' O ' ' A' ' 25' ' ' LEU . 45.2 m-70 37.72 38.25 0.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.58 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 38.9 m-70 70.13 51.51 0.4 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.62 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.555 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -170.12 132.09 1.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 109.307 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.47 HG22 ' CD1' ' A' ' 76' ' ' ILE . 16.4 m -76.35 142.88 13.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.587 ' CE2' ' HB2' ' A' ' 71' ' ' SER . 2.4 m-30 -118.39 105.68 11.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 111.05 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -75.6 82.39 2.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 36' ' ' LEU . 0.9 OUTLIER -102.04 35.39 2.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 6.7 m -58.1 -44.23 87.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 110.325 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.1 ttmm -72.07 -41.15 67.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.52 ' HB2' ' CZ ' ' A' ' 74' ' ' TYR . 90.9 t80 -89.6 16.9 7.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 111.093 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' A' ' 32' ' ' LEU . 2.1 tm? -72.45 -48.04 44.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -89.77 -8.11 52.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.573 1.171 . . . . 0.0 110.277 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.34 -22.99 24.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.426 1.079 . . . . 0.0 110.315 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.584 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 5.2 t-160 -49.93 126.22 19.11 Favored Pre-proline 0 C--N 1.326 -0.421 0 O-C-N 124.478 1.111 . . . . 0.0 109.589 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.584 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.0 Cg_endo -75.09 -29.75 7.76 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.493 1.786 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.15 -67.85 1.88 Allowed Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.566 1.166 . . . . 0.0 111.028 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.0 148.36 9.97 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.91 -17.6 32.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 0.772 . . . . 0.0 110.268 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 48' ' ' GLU . 0.3 OUTLIER -86.69 -54.41 4.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.426 1.079 . . . . 0.0 110.255 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 44' ' ' GLU . 0.2 OUTLIER -39.93 -29.17 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 109.254 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.54 HD22 ' C3C' ' A' ' 95' ' ' HEM . 1.2 mt -83.68 -60.64 2.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.462 ' O ' ' C ' ' A' ' 48' ' ' GLU . 22.3 mtm180 -58.32 -57.27 13.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.439 1.087 . . . . 0.0 110.309 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 44' ' ' GLU . 4.9 tt0 -33.65 -44.99 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.333 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -131.21 50.72 2.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.312 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.01 -88.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -43.83 -31.16 1.81 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.542 1.151 . . . . 0.0 111.006 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.37 -137.95 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -132.73 110.02 10.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 0.778 . . . . 0.0 109.235 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 58' ' ' PHE . . . -111.59 17.83 19.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.321 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.6 m -50.21 -60.8 2.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.375 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -66.27 -41.49 89.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.308 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -65.42 -13.49 58.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.804 ' CD1' ' CE1' ' A' ' 63' ' ' HIS . 75.4 t80 -99.56 -40.01 8.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 111.044 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -81.49 -30.77 33.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.417 ' N ' ' HG3' ' A' ' 59' ' ' GLU . 30.3 t0 -61.09 -43.49 98.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.5 ' CG1' ' CMD' ' A' ' 95' ' ' HEM . 7.1 m -67.81 -15.93 20.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 60.0 84.5 0.05 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.426 1.079 . . . . 0.0 111.034 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.804 ' CE1' ' CD1' ' A' ' 58' ' ' PHE . 35.7 m80 -71.58 140.07 49.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 0.775 . . . . 0.0 109.581 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 13.1 m -80.69 169.94 16.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.933 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -50.98 -47.25 61.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.403 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.34 -39.82 1.53 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.333 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.69 -47.28 66.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.611 1.194 . . . . 0.0 109.327 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 65' ' ' THR . 0.3 OUTLIER -42.29 -45.39 4.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.81 -51.49 61.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.477 ' O ' ' C ' ' A' ' 71' ' ' SER . 1.2 mp -58.77 -67.91 0.32 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.336 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.587 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 4.0 p -32.01 -57.8 0.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.974 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.465 ' O ' ' CG2' ' A' ' 75' ' ' ILE . 0.0 OUTLIER -55.99 -52.99 62.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.329 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.47 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -57.62 -30.85 65.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 110.369 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.52 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 46.7 m-85 -99.95 39.9 1.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.986 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.465 ' CG2' ' O ' ' A' ' 72' ' ' LYS . 8.6 tt -117.06 140.65 38.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.47 ' CD1' HG22 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -122.51 -38.55 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.556 1.16 . . . . 0.0 109.335 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.459 ' N ' HG12 ' A' ' 76' ' ' ILE . . . 174.36 -172.88 45.73 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.444 1.09 . . . . 0.0 111.001 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -114.04 169.68 8.83 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.513 0.772 . . . . 0.0 110.369 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.451 HD23 ' N ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -103.78 153.25 20.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.451 ' N ' HD23 ' A' ' 79' ' ' LEU . 0.6 OUTLIER -39.4 111.69 0.7 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 109.577 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.41 ' O ' ' HG2' ' A' ' 84' ' ' ARG . 18.4 Cg_endo -74.98 -4.56 15.59 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.505 1.792 . . . . 0.0 111.022 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -80.3 -39.45 28.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 0.0 109.275 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.07 30.09 3.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.41 ' HG2' ' O ' ' A' ' 81' ' ' PRO . 3.3 ptm180 -77.54 -9.31 58.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 34.1 m -97.42 31.84 2.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 110.046 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.98 23.93 9.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 4.3 mt -94.98 -46.14 13.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.321 179.973 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' HEM . . . . . 1.501 HMA3 ' CMA' ' A' ' 95' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.593 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 0.4 OUTLIER -113.0 122.19 46.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.561 1.163 . . . . 0.0 109.262 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -100.96 102.1 13.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 111.005 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.593 ' CE1' ' HB3' ' A' ' 5' ' ' LYS . 17.5 m-85 -91.58 147.19 23.19 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 111.039 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.425 ' C ' ' N ' ' A' ' 10' ' ' GLU . 2.2 p -75.46 149.13 38.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 0.0 110.408 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.462 ' O ' HG12 ' A' ' 12' ' ' ILE . 0.5 OUTLIER -54.07 -16.18 1.84 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.463 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -71.15 -42.56 69.0 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.483 1.115 . . . . 0.0 110.313 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.543 ' O ' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -48.21 -69.26 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 110.352 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.469 ' C ' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -34.98 -54.77 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.434 ' HB2' ' O ' ' A' ' 10' ' ' GLU . 26.3 mm-40 -49.11 -46.78 45.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 110.349 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.543 ' N ' ' O ' ' A' ' 11' ' ' GLU . 37.7 mmtt -60.62 -31.53 70.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.403 ' NE2' ' CG ' ' A' ' 11' ' ' GLU . 2.6 m-70 -94.36 59.61 2.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.099 . . . . 0.0 109.577 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -110.07 24.87 12.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.522 1.139 . . . . 0.0 109.35 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -135.09 168.27 19.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.9 t -56.94 -48.19 78.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.573 1.171 . . . . 0.0 110.004 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -44.32 -44.68 8.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.8 p -139.08 98.76 3.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 110.052 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.4 m -109.7 112.69 24.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 110.381 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.418 ' O ' ' C ' ' A' ' 50' ' ' ALA . 9.1 m0 -119.33 157.68 27.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 0.0 108.0 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.483 ' CG1' ' HB2' ' A' ' 30' ' ' TYR . 13.7 p -154.53 120.75 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.367 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 23.4 mt -69.53 106.23 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.581 HD21 ' CD2' ' A' ' 30' ' ' TYR . 0.5 OUTLIER -115.88 120.59 39.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.571 ' O ' ' CG ' ' A' ' 27' ' ' HIS . 0.0 OUTLIER 40.1 60.62 1.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.611 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.571 ' CG ' ' O ' ' A' ' 26' ' ' HIS . 12.8 p80 50.65 48.41 22.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.585 1.178 . . . . 0.0 109.653 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 27' ' ' HIS . 0.9 OUTLIER -166.01 107.74 0.74 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.421 1.076 . . . . 0.0 109.279 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.8 m -64.85 143.0 16.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.585 ' CE2' ' HB2' ' A' ' 71' ' ' SER . 3.2 m-30 -117.72 110.93 18.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.409 ' HA ' ' CD1' ' A' ' 22' ' ' TRP . 17.6 t0 -77.73 78.58 4.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 109.244 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.409 ' CD2' HG13 ' A' ' 23' ' ' VAL . 1.0 OUTLIER -98.24 46.59 1.0 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 97.6 m -67.93 -49.9 59.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.568 1.167 . . . . 0.0 110.392 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.56 -35.74 73.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.565 ' HB2' ' CZ ' ' A' ' 74' ' ' TYR . 80.7 t80 -89.96 18.54 5.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 111.039 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -77.2 -46.7 22.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -89.94 -7.44 54.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.26 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -88.56 -25.48 22.48 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.468 ' CB ' HD12 ' A' ' 46' ' ' LEU . 5.1 t-160 -50.07 123.04 15.35 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.575 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.432 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.5 Cg_endo -74.99 -31.72 5.99 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.533 1.807 . . . . 0.0 111.007 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.17 -64.52 3.84 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.466 1.104 . . . . 0.0 111.015 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.06 149.1 10.47 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -91.14 -19.24 23.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.415 0.715 . . . . 0.0 110.262 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 48' ' ' GLU . 2.2 tt0 -86.15 -53.88 4.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 44' ' ' GLU . 0.2 OUTLIER -39.87 -29.32 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.577 HD22 ' C3C' ' A' ' 95' ' ' HEM . 1.6 mt -82.55 -58.05 3.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 109.264 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.463 ' O ' ' C ' ' A' ' 48' ' ' GLU . 5.9 mtt180 -60.63 -55.56 31.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.299 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 44' ' ' GLU . 13.2 tt0 -33.8 -46.07 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.252 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -131.31 47.75 2.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.334 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.418 ' C ' ' O ' ' A' ' 22' ' ' TRP . . . -67.99 -91.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.434 ' CA ' ' HB ' ' A' ' 12' ' ' ILE . . . -41.17 -31.18 0.5 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.398 1.061 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 51' ' ' GLY . . . -60.13 -137.48 0.01 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.598 0.822 . . . . 0.0 111.049 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.9 p-10 -135.76 113.25 10.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 0.76 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -112.75 26.23 10.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.42 1.075 . . . . 0.0 109.351 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.443 ' O ' ' HB3' ' A' ' 58' ' ' PHE . 16.9 m -50.15 -71.54 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 110.389 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.458 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 1.6 mm-40 -58.72 -43.58 90.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.27 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -55.92 -22.53 26.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.481 ' C ' ' CD1' ' A' ' 58' ' ' PHE . 0.2 OUTLIER -93.45 -39.74 10.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -76.05 -35.2 59.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.364 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.458 ' HB2' ' O ' ' A' ' 56' ' ' GLU . 7.6 t0 -59.55 -44.17 93.33 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.471 1.107 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.525 ' CG1' ' CMD' ' A' ' 95' ' ' HEM . 5.2 m -69.52 -16.0 20.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.474 1.109 . . . . 0.0 109.214 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 56.49 85.71 0.03 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.458 1.099 . . . . 0.0 111.02 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.49 ' CE1' ' CG2' ' A' ' 61' ' ' VAL . 32.2 m80 -69.92 139.68 52.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 0.783 . . . . 0.0 109.585 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 p -80.19 170.02 17.0 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.531 1.144 . . . . 0.0 109.962 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -52.16 -44.81 64.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.4 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.93 -41.21 3.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.621 1.2 . . . . 0.0 109.334 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.42 -44.36 78.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 65' ' ' THR . 0.0 OUTLIER -42.81 -42.95 3.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.272 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -68.22 -55.02 13.74 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.445 1.091 . . . . 0.0 110.314 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.462 ' O ' ' C ' ' A' ' 71' ' ' SER . 0.9 OUTLIER -54.24 -66.09 0.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.585 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 6.7 p -33.91 -56.34 0.47 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.1 . . . . 0.0 109.955 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.2 mtmm -57.31 -51.51 69.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.234 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.7 OUTLIER -58.02 -32.02 67.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.424 1.078 . . . . 0.0 110.388 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.565 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 48.6 m-85 -100.12 41.02 1.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 4.4 tt -116.13 140.08 39.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.461 HG12 ' N ' ' A' ' 77' ' ' GLY . 0.2 OUTLIER -123.94 -38.24 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.276 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.461 ' N ' HG12 ' A' ' 76' ' ' ILE . . . 171.35 -169.4 42.46 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.53 1.144 . . . . 0.0 111.029 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -114.86 170.13 8.56 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.48 0.753 . . . . 0.0 110.343 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.456 ' C ' ' CD2' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -102.79 149.34 24.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.338 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.436 ' N ' ' O ' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -38.66 113.46 0.75 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.551 1.157 . . . . 0.0 109.561 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -0.7 10.27 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.489 1.784 . . . . 0.0 111.0 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -76.8 -32.73 57.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.26 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -91.24 -30.88 16.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.81 -37.99 80.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.343 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 37.5 m -100.64 50.36 0.88 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.079 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 10.0 tttp -78.63 -20.47 50.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.246 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 26.1 mm -70.92 -49.82 47.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.376 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.247 179.978 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' HEM . . . . . 1.519 HMA3 ' CMA' ' A' ' 95' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.512 ' CG1' ' CE1' ' A' ' 6' ' ' TYR . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -108.44 119.98 41.08 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.512 ' CE1' ' CG1' ' A' ' 4' ' ' VAL . 29.9 m-85 -101.17 113.68 26.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 110.959 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.519 ' CZ ' ' HB3' ' A' ' 5' ' ' LYS . 20.6 m-85 -104.72 149.7 25.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 111.043 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.2 p -77.27 151.33 35.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 110.424 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.418 ' O ' HG12 ' A' ' 12' ' ' ILE . 0.7 OUTLIER -57.34 -16.0 7.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.449 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -70.47 -42.84 70.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.483 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.1 OUTLIER -49.62 -70.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.483 ' C ' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -33.13 -57.86 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.579 1.174 . . . . 0.0 109.26 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.42 ' HB2' ' O ' ' A' ' 10' ' ' GLU . 2.9 mm-40 -44.1 -52.47 7.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 11' ' ' GLU . 59.8 mmtt -56.39 -43.35 79.2 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.218 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.474 ' NE2' ' CG ' ' A' ' 11' ' ' GLU . 2.4 m-70 -78.57 56.55 1.83 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.553 1.158 . . . . 0.0 109.61 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -109.99 23.93 13.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -136.66 170.05 16.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.509 ' O ' ' CG2' ' A' ' 33' ' ' THR . 45.1 m -56.89 -48.64 77.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.003 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.8 mttt -41.68 -47.78 4.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.436 ' O ' ' CA ' ' A' ' 15' ' ' HIS . 23.8 m -139.97 100.77 4.01 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.47 1.106 . . . . 0.0 109.972 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.6 m -109.36 112.38 24.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.427 1.079 . . . . 0.0 110.423 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.433 ' O ' ' C ' ' A' ' 50' ' ' ALA . 12.6 m0 -117.81 159.6 22.77 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.4 p -160.07 120.13 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 109.212 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -63.99 123.23 16.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.547 1.154 . . . . 0.0 109.33 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.581 HD21 ' CD2' ' A' ' 30' ' ' TYR . 1.8 mp -135.06 114.65 12.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.386 1.054 . . . . 0.0 109.338 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.529 ' CE1' ' CE1' ' A' ' 58' ' ' PHE . 0.1 OUTLIER 42.81 51.9 5.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.614 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 59.2 m80 56.51 53.23 8.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.564 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.434 ' HE3' ' CD1' ' A' ' 75' ' ' ILE . 0.0 OUTLIER -170.09 97.7 0.28 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.463 ' CG1' ' HB3' ' A' ' 79' ' ' LEU . 6.9 m -57.17 140.96 14.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 109.243 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.604 ' CE2' ' HB3' ' A' ' 71' ' ' SER . 4.5 m-30 -116.48 106.47 13.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.117 . . . . 0.0 111.042 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -77.31 76.0 3.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 109.322 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 36' ' ' LEU . 0.8 OUTLIER -91.34 41.64 1.07 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.153 . . . . 0.0 109.33 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.509 ' CG2' ' O ' ' A' ' 18' ' ' SER . 10.4 m -61.54 -49.57 76.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.404 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.6 ttmm -69.16 -39.44 78.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 0.0 109.302 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.539 ' HB2' ' CZ ' ' A' ' 74' ' ' TYR . 90.0 t80 -90.13 17.09 7.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 110.974 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 32' ' ' LEU . 1.7 tm? -71.34 -49.91 37.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.416 ' N ' HD11 ' A' ' 36' ' ' LEU . 1.3 pt-20 -89.19 -9.01 52.47 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.505 1.128 . . . . 0.0 110.28 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.26 -23.83 30.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.331 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.583 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 4.7 t-160 -50.0 126.58 19.98 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.52 1.137 . . . . 0.0 109.661 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.583 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.2 Cg_endo -74.99 -29.91 7.74 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.503 1.791 . . . . 0.0 111.034 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.62 -68.24 1.73 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.51 1.131 . . . . 0.0 111.015 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.06 150.21 11.5 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -86.86 -23.42 25.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 0.776 . . . . 0.0 110.275 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 48' ' ' GLU . 1.3 tp10 -80.37 -54.36 5.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.294 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' A' ' 44' ' ' GLU . 0.2 OUTLIER -39.9 -29.57 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.157 . . . . 0.0 109.319 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.518 ' CD2' ' C2C' ' A' ' 95' ' ' HEM . 1.1 mt -84.04 -60.19 2.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.457 ' O ' ' C ' ' A' ' 48' ' ' GLU . 56.7 mtm180 -57.17 -57.16 13.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 110.257 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 44' ' ' GLU . 0.4 OUTLIER -33.91 -44.9 0.18 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.562 1.164 . . . . 0.0 110.314 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -128.7 49.04 2.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.303 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 22' ' ' TRP . . . -71.72 -94.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.454 ' O ' ' O ' ' A' ' 52' ' ' GLY . . . -34.85 -36.56 0.08 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.522 1.139 . . . . 0.0 111.055 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.454 ' O ' ' O ' ' A' ' 51' ' ' GLY . . . -58.3 -140.98 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 26.1 p-10 -138.1 113.33 9.34 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.478 0.752 . . . . 0.0 109.237 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -110.72 27.18 9.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.5 m -51.72 -61.49 2.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 110.377 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -63.36 -44.08 95.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 110.281 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -60.02 -21.05 60.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.529 ' CE1' ' CE1' ' A' ' 26' ' ' HIS . 0.3 OUTLIER -90.77 -39.94 12.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 111.055 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -77.28 -36.63 54.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.223 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -56.7 -44.57 81.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.524 ' CG1' ' CMD' ' A' ' 95' ' ' HEM . 5.9 m -69.2 -16.11 20.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 58.4 85.13 0.04 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.567 1.167 . . . . 0.0 111.0 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.475 ' CE1' ' CG2' ' A' ' 61' ' ' VAL . 30.0 m80 -69.99 139.45 52.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 0.779 . . . . 0.0 109.623 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -80.82 169.93 16.94 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.426 1.079 . . . . 0.0 109.981 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -50.77 -47.49 59.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.329 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 65' ' ' THR . 0.2 OUTLIER -40.54 -42.14 1.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.35 -47.81 72.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.352 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 65' ' ' THR . 18.3 ttt180 -40.45 -47.44 2.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -63.7 -53.44 51.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.379 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.49 ' O ' ' C ' ' A' ' 71' ' ' SER . 2.3 mp -55.89 -67.61 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.604 ' HB3' ' CE2' ' A' ' 30' ' ' TYR . 46.8 m -31.59 -58.69 0.26 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 110.011 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.94 -53.69 52.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.582 1.176 . . . . 0.0 109.252 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.467 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.7 OUTLIER -56.62 -32.27 65.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.6 1.188 . . . . 0.0 110.386 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.539 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 56.1 m-85 -99.81 42.04 1.13 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.434 ' CD1' ' HE3' ' A' ' 28' ' ' LYS . 6.2 tt -117.85 140.51 40.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.363 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.479 HG12 ' N ' ' A' ' 77' ' ' GLY . 0.2 OUTLIER -124.11 -39.12 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.899 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.479 ' N ' HG12 ' A' ' 76' ' ' ILE . . . 174.03 -171.37 44.47 Favored Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.475 1.11 . . . . 0.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -112.04 170.04 8.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 0.787 . . . . 0.0 110.314 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.544 ' C ' ' CD1' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -107.11 152.9 23.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.27 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.509 ' N ' HD22 ' A' ' 79' ' ' LEU . 0.4 OUTLIER -36.32 110.65 0.46 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.542 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -12.26 21.5 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.504 1.792 . . . . 0.0 111.018 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -80.02 -39.31 30.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.19 -11.4 58.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.587 1.179 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -60.66 -32.33 71.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 110.294 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.1 t -62.5 -45.84 91.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 110.028 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.2 ttpt -95.66 38.51 1.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.9 tp -91.42 -33.92 5.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.585 1.178 . . . . 0.0 109.28 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 -179.999 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' HEM . . . . . 1.5 HMA3 ' CMA' ' A' ' 95' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.56 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -112.72 121.56 45.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -99.86 105.97 17.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.56 ' CE1' ' HB3' ' A' ' 5' ' ' LYS . 17.8 m-85 -94.44 150.2 20.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.123 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.8 p -77.42 148.63 35.37 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.132 . . . . 0.0 110.386 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.404 ' O ' HG12 ' A' ' 12' ' ' ILE . 0.4 OUTLIER -54.16 -18.92 4.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 109.362 179.91 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.415 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 1.0 OUTLIER -71.89 -39.14 69.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.337 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.492 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -48.73 -71.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.573 1.171 . . . . 0.0 110.252 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.492 ' C ' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -33.41 -57.86 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.357 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -43.15 -52.91 5.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 110.333 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 11' ' ' GLU . 25.3 mmtt -52.97 -36.42 60.14 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.446 ' N ' ' O ' ' A' ' 12' ' ' ILE . 3.2 m-70 -91.77 59.45 3.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.632 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -109.27 14.88 23.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.34 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -122.2 169.9 10.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.12 -44.12 95.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.988 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.431 ' O ' ' CG2' ' A' ' 33' ' ' THR . 0.0 OUTLIER -49.42 -42.43 42.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.426 1.079 . . . . 0.0 109.305 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 15' ' ' HIS . 27.6 m -137.74 97.03 3.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 110.074 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 m -109.12 114.14 27.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.389 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.454 ' CD1' ' HA ' ' A' ' 31' ' ' ASP . 8.4 m0 -119.19 160.82 21.43 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.604 1.19 . . . . 0.0 107.969 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.47 HG12 ' CD2' ' A' ' 32' ' ' LEU . 7.2 p -159.93 117.91 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.239 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 15.6 mt -67.09 120.61 14.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.584 HD21 ' CD2' ' A' ' 30' ' ' TYR . 1.4 mp -128.82 123.3 32.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.571 ' CE1' ' HB3' ' A' ' 25' ' ' LEU . 0.1 OUTLIER 37.98 54.34 1.62 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.599 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 78.2 m-70 57.6 51.25 9.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.62 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -169.97 110.2 0.41 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.453 HG22 ' CD1' ' A' ' 76' ' ' ILE . 9.1 m -68.06 142.14 16.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.369 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.605 ' CE2' ' HB2' ' A' ' 71' ' ' SER . 4.7 m-30 -116.72 104.62 11.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 110.965 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.498 ' CG ' ' CG2' ' A' ' 76' ' ' ILE . 18.1 p-10 -72.92 76.38 1.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.47 ' CD2' HG12 ' A' ' 23' ' ' VAL . 0.5 OUTLIER -94.74 43.17 1.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.346 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.431 ' CG2' ' O ' ' A' ' 19' ' ' LYS . 77.5 m -65.93 -46.36 78.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.485 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -69.33 -42.44 75.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 109.256 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.544 ' HB2' ' CZ ' ' A' ' 74' ' ' TYR . 93.4 t80 -89.92 23.08 2.89 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.464 1.103 . . . . 0.0 111.077 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.401 ' C ' ' CD1' ' A' ' 36' ' ' LEU . 1.1 tm? -74.69 -47.95 28.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -90.07 -9.44 48.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 0.0 110.348 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.455 ' HB3' ' CD1' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -84.18 -23.29 30.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.319 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.579 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 5.3 t-160 -50.33 125.94 20.8 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.632 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.579 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.2 Cg_endo -75.07 -29.35 8.21 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.489 1.784 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.9 -67.01 2.16 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.483 1.114 . . . . 0.0 110.994 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.1 149.47 10.8 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -87.97 -19.74 26.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.526 ' O ' ' N ' ' A' ' 48' ' ' GLU . 3.1 mm-40 -84.13 -54.01 5.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 110.271 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 44' ' ' GLU . 0.2 OUTLIER -40.19 -28.48 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.544 HD22 ' C3C' ' A' ' 95' ' ' HEM . 0.8 OUTLIER -85.74 -60.14 2.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.461 ' O ' ' C ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -59.41 -57.04 14.74 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.506 1.129 . . . . 0.0 110.27 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.526 ' N ' ' O ' ' A' ' 44' ' ' GLU . 3.6 tt0 -33.91 -45.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.36 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -131.47 48.22 2.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.432 1.082 . . . . 0.0 110.241 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 52' ' ' GLY . . . -69.41 -94.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.232 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.458 ' CA ' ' HB ' ' A' ' 12' ' ' ILE . . . -36.67 -32.64 0.06 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.537 1.148 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 50' ' ' ALA . . . -60.09 -140.49 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -131.28 114.7 15.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 0.744 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.412 ' HB1' ' CG2' ' A' ' 23' ' ' VAL . . . -115.48 22.55 13.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.38 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.8 m -52.37 -61.37 2.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.418 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -64.75 -41.03 96.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.098 . . . . 0.0 110.278 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -63.52 -16.96 62.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.285 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.567 ' CD2' HD23 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -95.5 -40.16 9.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -78.73 -35.44 44.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.254 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -58.54 -43.5 89.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.507 ' CG1' ' CMD' ' A' ' 95' ' ' HEM . 5.9 m -69.54 -17.1 21.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 59.28 85.22 0.04 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.578 1.174 . . . . 0.0 111.04 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.472 ' CE1' ' CG2' ' A' ' 61' ' ' VAL . 31.6 m80 -70.46 139.98 51.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 0.775 . . . . 0.0 109.575 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.29 169.99 17.01 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.528 1.143 . . . . 0.0 110.029 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.423 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -51.88 -46.11 64.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 110.373 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -42.05 -39.6 1.99 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 109.257 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.86 -47.42 65.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 65' ' ' THR . 2.1 tpp180 -40.31 -41.88 1.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 110.273 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -69.84 -56.74 6.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.319 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.462 ' O ' ' C ' ' A' ' 71' ' ' SER . 1.1 mp -52.43 -65.56 0.54 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.122 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.605 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 8.5 p -34.15 -56.91 0.49 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 109.945 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -56.33 -51.44 68.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.362 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -58.67 -31.98 68.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.379 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.544 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 47.9 m-85 -100.17 42.36 1.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 111.015 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.0 tt -116.44 139.93 40.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.275 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.498 ' CG2' ' CG ' ' A' ' 31' ' ' ASP . 0.2 OUTLIER -122.61 -36.38 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.508 1.13 . . . . 0.0 109.34 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.407 ' N ' HG12 ' A' ' 76' ' ' ILE . . . 172.08 -166.05 38.83 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.395 1.059 . . . . 0.0 110.986 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 5' ' ' LYS . 3.0 pt-20 -119.15 168.38 10.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 0.76 . . . . 0.0 110.322 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.515 HD23 ' C ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -101.58 154.15 19.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.345 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.522 ' CD2' ' HB2' ' A' ' 82' ' ' ASP . 3.6 t-160 -46.19 107.41 0.68 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.563 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -2.3 12.37 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.446 1.761 . . . . 0.0 110.975 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.522 ' HB2' ' CD2' ' A' ' 80' ' ' HIS . 13.8 t0 -80.28 -33.5 37.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -100.16 -18.84 16.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.079 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.89 -32.62 70.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.332 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.2 m -109.99 44.34 1.23 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 110.019 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -90.9 37.1 0.92 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.3 tp -93.07 -29.73 4.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.992 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' HEM . . . . . 1.502 HMA3 ' CMA' ' A' ' 95' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.492 ' CG1' ' CE1' ' A' ' 6' ' ' TYR . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.45 120.44 42.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.26 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.492 ' CE1' ' CG1' ' A' ' 4' ' ' VAL . 30.2 m-85 -99.47 109.06 21.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 111.034 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -94.27 151.36 19.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.545 1.153 . . . . 0.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.7 p -80.68 145.88 31.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -52.31 -21.01 3.08 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.421 1.076 . . . . 0.0 109.333 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.46 -33.88 76.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 110.333 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.501 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -59.89 -77.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 110.304 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.501 ' C ' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -32.91 -42.34 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 109.279 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.421 ' O ' ' HB2' ' A' ' 16' ' ' LYS . 2.9 mm100 -56.69 -60.2 3.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.3 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 11' ' ' GLU . 1.1 ptpm? -66.27 -10.85 46.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 75.3 m-70 -104.24 47.87 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.611 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 13' ' ' GLN . 0.0 OUTLIER -110.12 16.98 21.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.76 168.82 9.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.276 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.09 -44.67 97.01 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.52 1.137 . . . . 0.0 109.985 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -43.25 -49.54 6.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.0 m -139.71 96.57 3.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.998 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.8 m -99.8 112.64 24.88 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.597 1.186 . . . . 0.0 110.374 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.4 ' O ' ' C ' ' A' ' 50' ' ' ALA . 13.8 m0 -117.34 157.99 25.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 107.981 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.407 ' CG1' ' HB2' ' A' ' 30' ' ' TYR . 7.2 p -156.78 123.14 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 24.1 mt -69.27 112.34 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.577 HD21 ' CD2' ' A' ' 30' ' ' TYR . 1.0 OUTLIER -123.6 133.21 53.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.518 ' CE1' ' HB3' ' A' ' 25' ' ' LEU . 0.0 OUTLIER 36.46 40.6 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.609 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.42 ' HB2' ' O ' ' A' ' 26' ' ' HIS . 32.9 m-70 68.36 51.59 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.654 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 25' ' ' LEU . 4.2 ptmt -170.19 126.48 0.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.47 HG22 ' CD1' ' A' ' 76' ' ' ILE . 16.8 m -73.39 141.96 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.365 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.609 ' CE2' ' HB3' ' A' ' 71' ' ' SER . 3.1 m-30 -117.73 104.89 11.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 0.0 111.022 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -74.16 77.14 1.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.236 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 36' ' ' LEU . 0.8 OUTLIER -94.6 37.74 1.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.273 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 59.3 m -58.99 -53.21 61.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 110.434 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.06 -38.42 85.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.563 ' HB2' ' CZ ' ' A' ' 74' ' ' TYR . 74.0 t80 -89.98 17.09 7.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.113 . . . . 0.0 111.014 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 32' ' ' LEU . 2.2 tm? -72.53 -46.72 53.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.257 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.71 -9.83 47.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.26 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -84.15 -21.34 31.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 0.0 110.272 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.551 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 5.3 t-160 -49.97 124.76 17.25 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.397 1.061 . . . . 0.0 109.58 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.551 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.2 Cg_endo -75.04 -30.61 6.92 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.544 1.813 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.63 -65.99 2.58 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.578 1.174 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -173.98 147.81 9.6 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -86.5 -11.35 51.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 0.775 . . . . 0.0 110.308 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.483 ' O ' ' N ' ' A' ' 48' ' ' GLU . 14.1 tt0 -93.4 -53.06 4.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.593 1.183 . . . . 0.0 110.332 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 44' ' ' GLU . 0.2 OUTLIER -39.99 -28.99 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.569 HD22 ' C3C' ' A' ' 95' ' ' HEM . 0.6 OUTLIER -82.94 -61.48 1.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.447 ' O ' ' C ' ' A' ' 48' ' ' GLU . 30.5 mtm180 -56.49 -54.82 41.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.299 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 44' ' ' GLU . 18.9 tp10 -34.5 -45.23 0.23 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.093 . . . . 0.0 110.351 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -131.76 46.93 2.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 110.342 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 46' ' ' LEU . . . -67.07 -91.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.485 1.115 . . . . 0.0 109.346 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 52' ' ' GLY . . . -41.95 -32.22 0.95 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 51' ' ' GLY . . . -59.6 -142.39 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -128.68 111.24 12.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 0.768 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -112.84 25.7 11.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.0 m -52.69 -68.86 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.381 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -61.35 -38.95 88.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -62.48 -19.33 63.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.564 ' CD2' HD23 ' A' ' 25' ' ' LEU . 0.8 OUTLIER -96.12 -39.97 9.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 111.065 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -78.15 -34.56 49.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.538 1.149 . . . . 0.0 110.278 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -59.11 -43.29 91.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.51 ' CG1' ' CMD' ' A' ' 95' ' ' HEM . 6.0 m -69.73 -16.15 20.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 58.01 85.28 0.03 OUTLIER Glycine 0 CA--C 1.532 1.113 0 O-C-N 124.454 1.097 . . . . 0.0 110.933 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.488 ' CE1' ' CG2' ' A' ' 61' ' ' VAL . 31.4 m80 -69.97 139.99 52.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 0.785 . . . . 0.0 109.6 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.5 m -80.08 170.07 16.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.031 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -51.86 -45.67 64.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.406 -179.938 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -41.88 -41.23 2.36 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.478 1.111 . . . . 0.0 109.339 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.69 -45.73 74.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 65' ' ' THR . 0.0 OUTLIER -40.96 -45.8 2.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.326 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -65.61 -55.27 18.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 110.35 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.522 HD22 ' CE1' ' A' ' 35' ' ' TYR . 0.6 OUTLIER -54.88 -67.22 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.237 -179.93 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.609 ' HB3' ' CE2' ' A' ' 30' ' ' TYR . 56.8 m -30.14 -59.2 0.18 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.536 1.147 . . . . 0.0 109.965 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.11 -57.02 14.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 0.0 109.293 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.7 OUTLIER -51.89 -31.99 30.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 110.457 179.898 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.563 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 50.6 m-85 -100.1 38.15 1.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 111.035 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.461 HG12 ' CE1' ' A' ' 30' ' ' TYR . 0.4 OUTLIER -115.12 139.77 39.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.628 1.205 . . . . 0.0 109.248 -179.897 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.477 HG12 ' N ' ' A' ' 77' ' ' GLY . 0.2 OUTLIER -122.25 -38.09 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.477 ' N ' HG12 ' A' ' 76' ' ' ILE . . . 177.41 -157.66 22.5 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.499 1.124 . . . . 0.0 111.039 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -126.61 168.43 14.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.777 . . . . 0.0 110.297 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.536 ' O ' ' CD1' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -104.8 146.04 29.53 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.565 1.165 . . . . 0.0 109.362 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.552 ' CD2' ' HB2' ' A' ' 82' ' ' ASP . 4.3 t-160 -36.9 105.19 0.29 Allowed Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 0.0 109.613 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -7.2 18.99 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.481 1.779 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.552 ' HB2' ' CD2' ' A' ' 80' ' ' HIS . 0.6 OUTLIER -80.08 -31.06 39.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -100.07 -15.83 18.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.346 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.82 -17.53 56.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.41 1.069 . . . . 0.0 110.296 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 17.9 m -108.43 39.38 2.0 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 110.011 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 28.4 tttt -94.43 -14.69 24.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.8 mp -75.42 -51.41 21.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.33 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 -179.962 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' HEM . . . . . 1.5 HMA3 ' CMA' ' A' ' 95' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.544 ' CG1' ' CE1' ' A' ' 6' ' ' TYR . 0.3 OUTLIER . . . . . 0 N--CA 1.451 -0.375 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.486 ' HB3' ' CZ ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -110.47 120.38 42.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.229 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.544 ' CE1' ' CG1' ' A' ' 4' ' ' VAL . 28.1 m-85 -101.0 101.44 12.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 111.026 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.486 ' CZ ' ' HB3' ' A' ' 5' ' ' LYS . 23.2 m-85 -89.72 146.21 24.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.597 1.186 . . . . 0.0 110.978 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.2 p -69.85 151.18 46.01 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.501 1.126 . . . . 0.0 110.439 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.418 ' O ' HG12 ' A' ' 12' ' ' ILE . 0.5 OUTLIER -57.72 -14.73 6.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.572 1.17 . . . . 0.0 109.338 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.427 ' O ' ' HB2' ' A' ' 13' ' ' GLN . 3.0 tt0 -72.39 -42.42 65.21 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.573 1.171 . . . . 0.0 110.275 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.486 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -48.58 -69.62 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.249 -179.928 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.486 ' C ' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -33.81 -53.09 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.362 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.427 ' HB2' ' O ' ' A' ' 10' ' ' GLU . 15.8 mm-40 -52.24 -53.67 40.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 11' ' ' GLU . 69.5 mmtt -52.21 -36.34 51.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.471 ' NE2' ' CG ' ' A' ' 11' ' ' GLU . 2.6 m-70 -87.32 58.35 4.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 109.548 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.99 31.67 5.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 109.331 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -143.44 161.51 38.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.342 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.1 m -50.14 -48.95 53.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 110.007 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.403 ' O ' ' CG2' ' A' ' 33' ' ' THR . 0.0 OUTLIER -43.65 -47.27 7.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.567 1.167 . . . . 0.0 109.283 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.1 p -138.03 99.1 3.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.006 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.6 m -110.82 112.15 23.81 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.433 1.083 . . . . 0.0 110.443 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.419 ' O ' ' C ' ' A' ' 50' ' ' ALA . 10.4 m0 -117.97 161.26 20.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 108.059 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.466 ' CG1' ' HB2' ' A' ' 30' ' ' TYR . 10.9 p -158.42 123.83 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 32.0 mt -71.54 110.96 4.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.612 HD21 ' CD2' ' A' ' 30' ' ' TYR . 2.3 mp -121.78 132.49 54.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.431 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 24.3 m80 37.27 39.9 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.592 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.539 ' CD2' ' HG2' ' A' ' 84' ' ' ARG . 62.9 m170 68.97 52.22 0.52 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.548 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.519 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 2.7 ptmt -170.03 127.45 0.86 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.465 ' CG2' HD11 ' A' ' 76' ' ' ILE . 18.3 m -74.68 142.06 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.612 ' CD2' HD21 ' A' ' 25' ' ' LEU . 2.9 m-30 -116.86 106.95 14.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.977 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -73.76 76.15 1.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.342 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 pp -95.85 39.21 1.14 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.403 ' CG2' ' O ' ' A' ' 19' ' ' LYS . 58.3 m -61.73 -49.59 75.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.409 1.068 . . . . 0.0 110.444 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.67 -37.87 73.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.557 ' CE2' ' C2B' ' A' ' 95' ' ' HEM . 75.7 t80 -90.02 20.37 4.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.12 . . . . 0.0 110.949 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.432 ' C ' ' CD1' ' A' ' 36' ' ' LEU . 1.3 tm? -76.98 -47.3 21.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.35 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.412 ' N ' HD11 ' A' ' 36' ' ' LEU . 3.1 pt-20 -89.52 -7.19 55.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.431 1.082 . . . . 0.0 110.309 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.73 -22.42 24.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.239 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.541 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 5.4 t-160 -50.08 124.78 17.76 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 109.603 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.541 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.3 Cg_endo -74.92 -30.95 6.76 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.492 1.785 . . . . 0.0 110.987 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.18 -66.42 2.46 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.459 1.099 . . . . 0.0 111.027 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -173.91 149.65 11.07 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.72 -19.01 28.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 0.786 . . . . 0.0 110.268 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.504 ' O ' ' N ' ' A' ' 48' ' ' GLU . 2.7 mt-10 -84.8 -53.55 5.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.306 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 44' ' ' GLU . 0.2 OUTLIER -40.11 -28.83 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 0.0 109.317 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.515 HD22 ' C3C' ' A' ' 95' ' ' HEM . 0.8 OUTLIER -84.75 -61.3 1.82 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 0.0 109.353 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.458 ' O ' ' C ' ' A' ' 48' ' ' GLU . 9.6 mtm180 -57.82 -57.38 13.01 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.336 1.023 . . . . 0.0 110.308 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' A' ' 44' ' ' GLU . 0.7 OUTLIER -34.19 -45.08 0.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.289 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -133.57 53.25 2.02 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.475 1.109 . . . . 0.0 110.228 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.432 ' N ' ' O ' ' A' ' 46' ' ' LEU . . . -73.01 -91.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.447 ' CA ' ' HB ' ' A' ' 12' ' ' ILE . . . -42.97 -28.71 0.75 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.448 1.092 . . . . 0.0 110.954 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 51' ' ' GLY . . . -59.86 -136.7 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -132.76 110.79 10.62 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.438 0.729 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 58' ' ' PHE . . . -115.36 16.35 16.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.25 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.0 m -49.97 -58.74 4.84 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.132 . . . . 0.0 110.374 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.58 -41.15 80.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.154 . . . . 0.0 110.284 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -65.96 -13.36 59.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.798 ' CD1' ' CE1' ' A' ' 63' ' ' HIS . 77.3 t80 -98.76 -40.03 8.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 111.031 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -81.09 -35.53 31.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 110.246 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -56.7 -42.63 79.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.496 ' CG1' ' CMD' ' A' ' 95' ' ' HEM . 7.8 m -67.54 -18.52 23.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 62.81 84.02 0.07 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.421 1.076 . . . . 0.0 110.981 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.798 ' CE1' ' CD1' ' A' ' 58' ' ' PHE . 32.6 m80 -71.62 140.07 49.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 0.795 . . . . 0.0 109.63 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.22 169.62 17.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.014 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -50.97 -47.41 61.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.465 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 65' ' ' THR . 0.1 OUTLIER -40.67 -42.56 1.75 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 109.324 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.14 -48.16 71.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 65' ' ' THR . 25.6 ttt180 -40.07 -46.66 2.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -64.89 -54.77 25.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 110.275 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.493 HD22 ' CE1' ' A' ' 35' ' ' TYR . 0.9 OUTLIER -54.31 -67.83 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.368 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.586 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 5.0 p -32.82 -57.31 0.37 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.96 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.7 tttt -56.19 -52.44 64.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.463 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -57.35 -31.71 66.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.46 179.909 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.554 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 49.8 m-85 -99.64 38.78 1.39 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.44 1.088 . . . . 0.0 111.031 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -115.21 140.61 35.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.465 HD11 ' CG2' ' A' ' 29' ' ' VAL . 0.2 OUTLIER -122.72 -38.71 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.172 . . . . 0.0 109.281 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.465 ' N ' HG12 ' A' ' 76' ' ' ILE . . . 175.19 -162.21 31.75 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.469 1.106 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.419 ' O ' ' O ' ' A' ' 5' ' ' LYS . 1.9 mt-10 -122.34 169.7 10.68 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.53 0.782 . . . . 0.0 110.342 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.454 HD11 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -104.18 150.25 24.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.35 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.449 ' N ' HD23 ' A' ' 79' ' ' LEU . 0.6 OUTLIER -38.6 109.89 0.53 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.56 -179.927 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 0.26 9.1 Favored 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.495 1.787 . . . . 0.0 111.006 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -78.03 -38.13 45.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -88.82 -25.69 22.07 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.539 ' HG2' ' CD2' ' A' ' 27' ' ' HIS . 0.5 OUTLIER -61.35 -29.65 70.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.74 54.7 0.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.981 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -99.95 27.47 5.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.125 . . . . 0.0 109.332 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.6 mp -99.05 -59.99 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.986 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' HEM . . . . . 1.5 HMA3 ' CMA' ' A' ' 95' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.424 ' CG1' ' CE1' ' A' ' 6' ' ' TYR . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.58 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -110.2 121.45 45.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.424 ' CE1' ' CG1' ' A' ' 4' ' ' VAL . 30.5 m-85 -101.04 103.82 14.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 111.001 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.58 ' CE1' ' HB3' ' A' ' 5' ' ' LYS . 16.9 m-85 -92.0 146.15 23.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.421 ' C ' ' N ' ' A' ' 10' ' ' GLU . 1.2 p -71.62 146.6 48.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 110.416 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.433 ' O ' HG12 ' A' ' 12' ' ' ILE . 0.4 OUTLIER -52.89 -18.07 1.74 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.444 1.09 . . . . 0.0 109.208 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.438 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -70.86 -40.55 72.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.277 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.499 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -49.04 -71.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.335 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.499 ' C ' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -32.04 -55.12 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 179.905 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.416 ' HB2' ' O ' ' A' ' 10' ' ' GLU . 18.7 mm-40 -48.92 -55.71 10.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 11' ' ' GLU . 67.9 mmtt -49.43 -35.52 19.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.568 1.167 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.496 ' CA ' ' O ' ' A' ' 20' ' ' SER . 2.7 m-70 -90.98 55.07 2.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 109.57 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.95 25.3 11.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -135.39 164.07 28.6 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.44 1.087 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 19' ' ' LYS . 0.4 OUTLIER -51.62 -50.93 59.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.43 1.081 . . . . 0.0 109.962 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.462 ' O ' ' CG2' ' A' ' 33' ' ' THR . 12.3 mmtt -39.97 -51.32 2.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.496 ' O ' ' CA ' ' A' ' 15' ' ' HIS . 11.6 m -139.94 101.92 4.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.023 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.9 m -112.17 116.09 29.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 110.416 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.42 ' O ' ' C ' ' A' ' 50' ' ' ALA . 10.0 m0 -115.52 163.33 15.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 108.057 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.457 HG12 ' CD2' ' A' ' 32' ' ' LEU . 7.6 p -158.41 124.75 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 20.1 mt -71.11 121.91 22.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.568 HD21 ' CD2' ' A' ' 30' ' ' TYR . 2.2 mp -132.91 133.19 42.92 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.44 ' C ' ' O ' ' A' ' 25' ' ' LEU . 17.3 m80 36.82 39.76 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.607 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.443 ' CE1' ' HE ' ' A' ' 84' ' ' ARG . 1.2 m170 69.6 51.36 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.586 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.569 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -170.15 131.29 0.99 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.467 HG22 ' CD1' ' A' ' 76' ' ' ILE . 16.3 m -77.15 142.85 13.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.441 1.088 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.586 ' CE2' ' HB2' ' A' ' 71' ' ' SER . 2.5 m-30 -118.27 104.91 11.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.92 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -73.2 80.34 1.29 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 36' ' ' LEU . 0.6 OUTLIER -98.68 28.33 4.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.096 . . . . 0.0 109.307 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.462 ' CG2' ' O ' ' A' ' 19' ' ' LYS . 69.8 m -50.07 -49.81 50.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.414 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm -68.47 -41.59 79.93 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.589 ' CD2' ' O ' ' A' ' 35' ' ' TYR . 83.1 t80 -89.95 25.51 2.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 32' ' ' LEU . 2.0 tm? -82.08 -47.98 11.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.24 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -89.98 -6.76 55.3 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.471 1.107 . . . . 0.0 110.302 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -89.89 -21.58 22.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.306 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.506 ' CD2' ' HD2' ' A' ' 40' ' ' PRO . 6.3 t-160 -49.97 123.6 15.79 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.606 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.506 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.3 Cg_endo -75.03 -33.05 4.84 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.447 1.761 . . . . 0.0 110.947 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.18 -65.04 3.32 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.514 1.134 . . . . 0.0 111.063 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.403 ' HA3' HG12 ' A' ' 45' ' ' VAL . . . -174.18 148.68 10.11 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -88.92 -36.7 15.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 0.775 . . . . 0.0 110.297 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.527 ' O ' ' N ' ' A' ' 48' ' ' GLU . 1.9 mm-40 -67.55 -54.15 22.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.308 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.403 HG12 ' HA3' ' A' ' 42' ' ' GLY . 0.2 OUTLIER -39.89 -29.2 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.439 1.087 . . . . 0.0 109.296 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.57 ' CD2' ' C2C' ' A' ' 95' ' ' HEM . 1.8 mt -85.28 -58.83 2.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.468 ' O ' ' C ' ' A' ' 48' ' ' GLU . 76.2 mtm-85 -60.47 -57.92 10.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.432 1.083 . . . . 0.0 110.291 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.527 ' N ' ' O ' ' A' ' 44' ' ' GLU . 39.5 tt0 -33.39 -45.25 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.087 . . . . 0.0 110.268 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -132.55 52.79 2.05 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.47 1.106 . . . . 0.0 110.333 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 22' ' ' TRP . . . -71.79 -92.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.41 ' CA ' ' HB ' ' A' ' 12' ' ' ILE . . . -39.51 -30.76 0.19 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.16 -141.47 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -131.22 113.8 14.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 0.76 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.443 ' O ' ' N ' ' A' ' 58' ' ' PHE . . . -115.31 20.85 14.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.5 m -50.58 -60.05 3.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.335 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.454 ' HA ' ' CG ' ' A' ' 59' ' ' GLU . 16.5 mm-40 -65.25 -42.21 93.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.355 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -65.68 -12.8 56.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.804 ' CD1' ' CE1' ' A' ' 63' ' ' HIS . 79.4 t80 -99.86 -41.05 7.4 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.448 1.093 . . . . 0.0 111.037 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.454 ' CG ' ' HA ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -81.56 -29.89 33.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 110.302 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.434 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 59.9 t0 -62.11 -41.45 98.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.504 ' CG1' ' CMD' ' A' ' 95' ' ' HEM . 6.4 m -69.9 -17.67 21.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 62.31 85.45 0.05 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.53 1.143 . . . . 0.0 110.966 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.804 ' CE1' ' CD1' ' A' ' 58' ' ' PHE . 36.3 m80 -72.73 140.02 47.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 0.723 . . . . 0.0 109.584 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.1 m -78.72 170.13 17.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.982 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 68' ' ' ARG . 0.9 OUTLIER -52.27 -46.7 65.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.366 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -41.55 -42.04 2.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.3 -46.87 75.47 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.592 1.182 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 65' ' ' THR . 0.0 OUTLIER -41.32 -44.71 2.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 110.281 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.63 -54.01 27.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.291 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.481 ' O ' ' C ' ' A' ' 71' ' ' SER . 0.8 OUTLIER -54.43 -68.52 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.586 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 2.3 p -31.85 -57.39 0.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 110.028 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.426 ' O ' ' CG2' ' A' ' 75' ' ' ILE . 0.6 OUTLIER -54.9 -54.6 40.52 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.462 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.7 OUTLIER -57.2 -30.69 64.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.345 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.53 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 48.6 m-85 -99.63 39.87 1.28 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.426 ' CG2' ' O ' ' A' ' 72' ' ' LYS . 5.3 tt -118.7 145.08 25.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.467 ' CD1' HG22 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -127.17 -38.63 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.465 ' N ' HG12 ' A' ' 76' ' ' ILE . . . 174.27 -167.7 40.19 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.481 1.113 . . . . 0.0 111.023 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -116.18 170.0 8.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.436 0.727 . . . . 0.0 110.334 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.493 ' C ' ' CD2' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -107.02 150.46 26.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.562 ' CD2' ' HB2' ' A' ' 82' ' ' ASP . 3.9 t-160 -40.19 104.53 0.33 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.577 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 2.55 6.48 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.49 1.784 . . . . 0.0 111.066 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.562 ' HB2' ' CD2' ' A' ' 80' ' ' HIS . 5.8 t0 -79.51 -34.94 40.79 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.463 1.102 . . . . 0.0 109.358 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.78 14.38 28.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.443 ' HE ' ' CE1' ' A' ' 27' ' ' HIS . 0.3 OUTLIER -59.87 -17.52 37.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.338 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 12.9 t -85.35 -33.84 21.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.98 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.75 36.83 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.267 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.403 ' CD1' ' HB2' ' A' ' 9' ' ' LEU . 2.5 tp -94.33 -23.44 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.252 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.244 -179.918 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' HEM . . . . . 1.512 HMA3 ' CMA' ' A' ' 95' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.503 ' HA ' ' CE ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -100.59 113.52 26.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.474 ' CZ ' ' HB3' ' A' ' 5' ' ' LYS . 18.4 m-85 -102.79 148.99 24.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 110.978 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.401 ' C ' ' N ' ' A' ' 10' ' ' GLU . 0.4 OUTLIER -76.54 146.28 38.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.567 1.167 . . . . 0.0 110.359 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.464 ' HA ' HD11 ' A' ' 12' ' ' ILE . 1.3 pt? -53.47 -18.83 3.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.153 . . . . 0.0 109.331 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.401 ' N ' ' C ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -66.55 -31.04 71.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 110.334 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.514 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.1 OUTLIER -61.64 -75.75 0.07 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 110.257 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.514 ' C ' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -31.75 -44.87 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.241 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -55.0 -73.5 0.05 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.72 -22.35 5.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.365 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.451 ' CD2' ' CG ' ' A' ' 11' ' ' GLU . 74.0 m-70 -96.7 45.88 1.05 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.501 1.125 . . . . 0.0 109.6 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.419 ' HG2' ' HB3' ' A' ' 50' ' ' ALA . 4.1 tmtt? -109.98 24.3 13.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -119.38 169.3 10.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.572 ' O ' HG23 ' A' ' 33' ' ' THR . 0.6 OUTLIER -58.27 -45.51 87.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.996 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.486 ' O ' HG21 ' A' ' 33' ' ' THR . 0.4 OUTLIER -43.88 -52.84 6.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.2 m -135.69 95.92 3.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.015 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.759 HG21 HD23 ' A' ' 36' ' ' LEU . 1.4 m -98.61 112.45 24.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.102 . . . . 0.0 110.388 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.4 ' O ' ' C ' ' A' ' 50' ' ' ALA . 10.3 m0 -118.24 157.48 26.94 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.685 HG22 HD13 ' A' ' 25' ' ' LEU . 4.2 p -154.7 122.95 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.157 . . . . 0.0 109.248 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.492 HG13 HG21 ' A' ' 12' ' ' ILE . 16.9 mt -68.77 113.89 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.685 HD13 HG22 ' A' ' 23' ' ' VAL . 1.8 mp -124.87 118.48 26.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.55 ' O ' ' CG ' ' A' ' 27' ' ' HIS . 13.8 m80 39.9 61.44 1.47 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.604 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.55 ' CG ' ' O ' ' A' ' 26' ' ' HIS . 27.9 p80 50.66 51.21 17.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 109.695 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.426 ' HG2' HD11 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -169.96 113.2 0.48 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 109.227 -179.917 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.766 HG23 HD11 ' A' ' 76' ' ' ILE . 10.8 m -71.27 141.94 16.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.62 ' CD2' HD22 ' A' ' 25' ' ' LEU . 4.5 m-30 -116.84 109.99 17.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -79.52 77.04 6.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.473 HD11 HD13 ' A' ' 46' ' ' LEU . 0.6 OUTLIER -93.91 39.66 1.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.328 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.572 HG23 ' O ' ' A' ' 18' ' ' SER . 55.6 m -61.87 -49.62 75.53 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.416 1.073 . . . . 0.0 110.385 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.31 -41.71 84.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.531 ' HB2' ' CZ ' ' A' ' 74' ' ' TYR . 91.5 t80 -89.92 21.69 3.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 110.95 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.759 HD23 HG21 ' A' ' 21' ' ' THR . 1.9 tm? -74.98 -51.12 14.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -87.5 -9.23 55.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.301 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.03 -23.01 28.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.346 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.723 ' CE1' HD21 ' A' ' 46' ' ' LEU . 5.1 t-160 -49.91 126.55 19.44 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.568 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.595 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.0 Cg_endo -75.08 -28.83 8.71 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.555 1.819 . . . . 0.0 110.981 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.55 -68.31 1.7 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.48 1.112 . . . . 0.0 110.969 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.09 148.38 9.95 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.469 ' HA ' HD12 ' A' ' 46' ' ' LEU . 0.5 OUTLIER -85.77 -18.44 32.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.781 . . . . 0.0 110.305 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 48' ' ' GLU . 7.7 tt0 -85.28 -54.1 4.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.415 1.072 . . . . 0.0 110.311 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.412 HG12 ' H ' ' A' ' 45' ' ' VAL . 0.2 OUTLIER -40.17 -28.84 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.09 . . . . 0.0 109.322 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.723 HD21 ' CE1' ' A' ' 39' ' ' HIS . 0.9 OUTLIER -85.09 -61.52 1.75 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.615 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 22.9 mtm180 -57.13 -56.7 18.38 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.544 1.152 . . . . 0.0 110.312 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 44' ' ' GLU . 3.2 tp10 -34.17 -45.09 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.314 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.474 ' HG3' ' HB2' ' A' ' 54' ' ' ALA . 22.2 pt20 -129.64 48.12 2.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 0.0 110.272 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.615 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -70.13 -92.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.352 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 52' ' ' GLY . . . -41.84 -32.94 1.02 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.535 1.147 . . . . 0.0 110.97 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.411 ' O ' HD12 ' A' ' 24' ' ' ILE . . . -59.51 -141.43 0.01 OUTLIER Glycine 0 CA--C 1.529 0.944 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -129.55 111.13 12.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 0.731 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.62 ' HB3' ' CG2' ' A' ' 23' ' ' VAL . . . -112.79 19.33 17.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.0 m -50.51 -61.35 2.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 110.471 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.421 ' HA ' ' CG ' ' A' ' 59' ' ' GLU . 14.3 mt-10 -66.1 -40.53 90.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 110.325 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -65.99 -13.28 59.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.794 ' CD1' ' CE1' ' A' ' 63' ' ' HIS . 75.1 t80 -99.91 -40.3 7.74 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.612 1.195 . . . . 0.0 110.97 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.421 ' CG ' ' HA ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -81.38 -30.39 33.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 110.243 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.412 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 49.0 t0 -60.39 -44.08 96.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.626 HG22 ' O ' ' A' ' 58' ' ' PHE . 9.1 m -67.3 -17.56 22.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 109.259 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 62.22 84.13 0.06 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.499 1.124 . . . . 0.0 111.044 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.794 ' CE1' ' CD1' ' A' ' 58' ' ' PHE . 35.3 m80 -71.47 140.13 49.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 0.786 . . . . 0.0 109.574 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.26 170.03 15.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.426 1.079 . . . . 0.0 109.997 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -50.3 -46.79 55.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.362 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -41.09 -40.6 1.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.25 -46.72 66.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.339 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 65' ' ' THR . 4.5 ttp180 -42.52 -45.25 4.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 110.338 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.22 -50.55 67.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.472 1.108 . . . . 0.0 110.301 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 73' ' ' THR . 1.1 mp -61.07 -66.51 0.52 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.595 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 5.3 p -33.93 -55.51 0.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.005 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.54 ' O ' HG22 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -58.22 -51.09 71.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.357 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -59.18 -29.98 67.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.373 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.531 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 40.9 m-85 -100.05 39.74 1.31 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.957 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.54 HG22 ' O ' ' A' ' 72' ' ' LYS . 4.6 tt -113.83 139.89 37.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 109.342 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.766 HD11 HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -124.64 -37.21 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 109.339 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.698 ' O ' HG22 ' A' ' 29' ' ' VAL . . . 169.69 -175.82 43.74 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.549 1.156 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -109.08 170.07 8.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 0.777 . . . . 0.0 110.304 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.696 HD22 ' C ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -104.91 152.16 22.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.256 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.557 ' O ' HD22 ' A' ' 79' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.598 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.48 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -99.29 124.23 44.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.603 1.19 . . . . 0.0 111.034 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.48 ' CE1' ' HB3' ' A' ' 5' ' ' LYS . 13.5 m-85 -111.5 146.34 37.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.387 1.054 . . . . 0.0 111.008 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.413 ' C ' ' N ' ' A' ' 10' ' ' GLU . 1.7 p -73.76 145.94 44.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 110.39 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.407 ' O ' HG12 ' A' ' 12' ' ' ILE . 1.4 pt? -52.75 -18.87 2.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.413 ' N ' ' C ' ' A' ' 8' ' ' THR . 1.1 mt-10 -63.56 -33.72 76.23 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.46 1.1 . . . . 0.0 110.27 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.493 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -61.61 -74.61 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 110.236 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.498 HD13 ' H ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -33.61 -40.7 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.432 ' C ' ' N ' ' A' ' 15' ' ' HIS . 5.7 mm-40 -61.8 -82.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.315 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.426 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -41.76 -29.29 0.19 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.447 ' C ' ' O ' ' A' ' 20' ' ' SER . 85.2 m-70 -91.29 48.31 1.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 109.603 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.6 pttt -110.2 30.71 6.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.363 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 20' ' ' SER . 0.1 OUTLIER -129.32 163.69 25.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.611 ' O ' HG23 ' A' ' 33' ' ' THR . 0.1 OUTLIER -48.85 -53.98 17.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.033 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.572 ' O ' HG21 ' A' ' 33' ' ' THR . 0.0 OUTLIER -44.19 -45.31 8.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 15' ' ' HIS . 23.6 p -137.41 99.21 3.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.034 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.519 HG21 ' CD2' ' A' ' 36' ' ' LEU . 0.5 OUTLIER -114.31 109.82 18.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.454 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.42 ' O ' ' C ' ' A' ' 50' ' ' ALA . 10.2 m0 -115.96 162.12 17.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 107.999 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.696 HG22 HD13 ' A' ' 25' ' ' LEU . 2.5 p -158.66 121.84 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 8.2 mt -68.91 108.58 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.564 1.165 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.696 HD13 HG22 ' A' ' 23' ' ' VAL . 0.6 OUTLIER -117.11 120.76 39.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 39.73 53.74 2.52 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.428 1.08 . . . . 0.0 109.569 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 56.7 51.91 10.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.588 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -169.95 106.33 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.108 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.826 HG23 HD11 ' A' ' 76' ' ' ILE . 6.2 m -62.9 141.6 17.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.564 1.165 . . . . 0.0 109.338 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.619 ' CE2' HD23 ' A' ' 25' ' ' LEU . 3.6 m-30 -117.14 108.82 16.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.918 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.407 ' HA ' ' CD1' ' A' ' 22' ' ' TRP . 23.9 t0 -78.21 78.25 4.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.471 HD11 HD13 ' A' ' 46' ' ' LEU . 0.5 OUTLIER -95.34 36.29 1.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.252 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.611 HG23 ' O ' ' A' ' 18' ' ' SER . 54.3 m -56.86 -52.26 65.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.465 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.89 -41.14 91.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.539 ' HB2' ' CZ ' ' A' ' 74' ' ' TYR . 85.7 t80 -89.33 19.46 4.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.9 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.635 HD13 ' C ' ' A' ' 36' ' ' LEU . 2.5 tm? -75.84 -48.32 22.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 0.0 109.332 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -90.06 -9.84 46.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 110.301 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.15 -23.11 28.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.326 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.704 ' CE1' HD21 ' A' ' 46' ' ' LEU . 5.0 t-160 -50.08 126.88 20.91 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.44 1.088 . . . . 0.0 109.598 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.602 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.2 Cg_endo -75.0 -26.55 10.8 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.484 1.781 . . . . 0.0 110.984 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.84 -68.47 1.64 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.495 1.122 . . . . 0.0 111.088 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.1 145.03 7.89 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.4 -7.47 59.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 0.746 . . . . 0.0 110.293 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.463 ' C ' ' N ' ' A' ' 46' ' ' LEU . 34.9 tt0 -97.22 -52.9 3.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 110.242 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.413 ' H ' HG12 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -40.24 -28.42 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.704 HD21 ' CE1' ' A' ' 39' ' ' HIS . 0.3 OUTLIER -87.03 -49.72 7.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.335 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.611 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 5.0 mtp-105 -65.25 -60.06 3.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.591 1.182 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.464 ' C ' ' O ' ' A' ' 47' ' ' ARG . 28.6 tt0 -33.42 -45.09 0.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.122 . . . . 0.0 110.271 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -129.14 47.78 2.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.321 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.611 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -71.99 -90.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -40.78 -33.12 0.58 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.458 1.099 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.31 -137.01 0.01 OUTLIER Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -136.17 115.02 12.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 0.793 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.55 ' HB3' HG21 ' A' ' 23' ' ' VAL . . . -112.03 25.68 11.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.44 1.087 . . . . 0.0 109.225 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 28.5 m -50.43 -72.1 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 110.439 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 60' ' ' ASP . 18.4 mt-10 -59.44 -36.23 75.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 110.318 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.615 ' O ' HG13 ' A' ' 61' ' ' VAL . 2.7 m120 -63.33 -23.68 67.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 109.321 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.624 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.5 OUTLIER -91.94 -39.83 11.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 111.03 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -77.52 -30.99 53.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.286 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 56' ' ' GLU . 56.7 t0 -62.7 -43.85 97.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.652 1.22 . . . . 0.0 109.22 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.624 HG22 ' O ' ' A' ' 58' ' ' PHE . 5.4 m -70.0 -17.21 20.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 59.27 84.8 0.04 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.457 1.098 . . . . 0.0 110.979 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.475 ' CE1' ' CG2' ' A' ' 61' ' ' VAL . 36.4 m80 -69.94 140.01 52.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 0.76 . . . . 0.0 109.612 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.57 170.0 16.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.03 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -51.49 -46.53 63.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.377 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -41.94 -41.14 2.39 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.56 1.163 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.3 -46.2 74.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 65' ' ' THR . 3.7 ttt180 -43.07 -40.87 3.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.37 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -69.32 -53.33 20.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 110.366 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.475 ' O ' ' C ' ' A' ' 71' ' ' SER . 0.8 OUTLIER -57.23 -65.83 0.56 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.258 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.608 ' HB3' ' CE2' ' A' ' 30' ' ' TYR . 58.8 m -32.74 -58.51 0.35 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 110.005 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.615 ' O ' HG22 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -56.4 -51.56 67.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.457 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.7 OUTLIER -57.69 -31.36 66.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.407 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.539 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 45.0 m-85 -100.04 41.61 1.15 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.425 1.078 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.615 HG22 ' O ' ' A' ' 72' ' ' LYS . 6.6 tt -116.06 139.93 40.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.826 HD11 HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -123.3 -38.83 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.474 ' N ' HG12 ' A' ' 76' ' ' ILE . . . 173.6 -162.38 33.3 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.482 1.114 . . . . 0.0 111.038 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -119.84 170.07 9.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 0.774 . . . . 0.0 110.351 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.753 HD22 ' C ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -98.7 144.54 27.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.646 ' O ' HD22 ' A' ' 79' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.583 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.463 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -100.56 111.82 24.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.085 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.463 ' CE1' ' HB3' ' A' ' 5' ' ' LYS . 20.3 m-85 -100.02 149.71 23.19 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.563 1.165 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.1 p -79.13 151.47 31.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 110.445 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.428 ' HA ' HD11 ' A' ' 12' ' ' ILE . 1.5 pt? -55.7 -18.29 7.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.412 ' N ' HD23 ' A' ' 9' ' ' LEU . 2.1 mm-40 -65.48 -34.35 78.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.459 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -61.71 -72.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.378 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.504 HG21 HG13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -36.0 -42.06 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 0.0 109.291 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.408 ' C ' ' N ' ' A' ' 15' ' ' HIS . 2.2 mm-40 -59.4 -78.84 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.399 1.062 . . . . 0.0 110.299 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.411 ' HE3' ' NE2' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -46.42 -26.4 0.84 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 0.0 109.253 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.416 ' NE2' ' HG3' ' A' ' 11' ' ' GLU . 81.1 m-70 -93.55 43.67 1.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.586 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -108.23 23.59 14.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.329 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -119.72 169.35 10.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.672 ' O ' HG23 ' A' ' 33' ' ' THR . 0.5 OUTLIER -57.08 -49.09 76.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.017 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.579 ' O ' HG21 ' A' ' 33' ' ' THR . 3.4 ptpt -43.14 -46.63 5.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.405 ' N ' ' HG3' ' A' ' 19' ' ' LYS . 25.9 m -139.88 98.55 3.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.059 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.588 HG21 HD23 ' A' ' 36' ' ' LEU . 1.9 m -103.42 110.26 22.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.415 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 8.6 m0 -115.67 158.08 23.29 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.62 ' CG2' ' HB3' ' A' ' 54' ' ' ALA . 8.6 p -157.26 121.19 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.504 HG13 HG21 ' A' ' 12' ' ' ILE . 8.0 mt -68.43 106.32 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.253 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.631 HD23 ' CE2' ' A' ' 30' ' ' TYR . 0.5 OUTLIER -117.44 122.29 43.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.417 ' C ' ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER 38.99 55.57 2.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.566 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.5 m80 52.86 51.89 15.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.622 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt -168.91 99.32 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.283 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.817 HG23 HD11 ' A' ' 76' ' ' ILE . 11.5 m -56.53 140.3 14.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.631 ' CE2' HD23 ' A' ' 25' ' ' LEU . 4.8 m-30 -115.91 107.71 15.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 111.031 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -77.22 74.75 3.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.406 1.066 . . . . 0.0 109.294 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -92.71 44.95 1.17 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.528 1.142 . . . . 0.0 109.243 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.672 HG23 ' O ' ' A' ' 18' ' ' SER . 92.8 m -66.05 -49.43 67.71 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 0.0 110.377 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.05 -36.01 72.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.56 ' HB2' ' CZ ' ' A' ' 74' ' ' TYR . 80.4 t80 -89.71 14.81 10.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 111.019 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.626 HD13 ' C ' ' A' ' 36' ' ' LEU . 1.8 tm? -71.59 -45.61 61.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -90.06 -9.29 49.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.1 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.84 -24.91 28.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 110.283 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.77 ' CE1' HD21 ' A' ' 46' ' ' LEU . 5.1 t-160 -50.88 123.5 18.75 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.639 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.453 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.4 Cg_endo -75.02 -30.71 6.84 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.447 1.762 . . . . 0.0 111.026 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.01 -65.57 3.04 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.524 1.14 . . . . 0.0 111.034 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.1 145.31 8.05 Favored Glycine 0 CA--C 1.529 0.946 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.406 ' HA ' HD12 ' A' ' 46' ' ' LEU . 1.5 pt-20 -86.95 -7.63 57.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 0.732 . . . . 0.0 110.264 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' A' ' 48' ' ' GLU . 1.2 tp10 -98.19 -53.78 3.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.427 ' H ' HG12 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -40.04 -28.72 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.77 HD21 ' CE1' ' A' ' 39' ' ' HIS . 1.2 mt -80.87 -58.22 3.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.631 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 57.2 mtm180 -62.39 -50.32 72.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.224 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 44' ' ' GLU . 7.3 pt-20 -35.97 -36.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 110.335 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 47' ' ' ARG . 12.9 pt20 -143.24 45.84 1.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.434 1.084 . . . . 0.0 110.319 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.631 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -65.48 -87.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.401 ' O ' ' HB ' ' A' ' 12' ' ' ILE . . . -44.49 -30.73 2.19 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.46 1.1 . . . . 0.0 110.982 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.501 ' O ' HD12 ' A' ' 24' ' ' ILE . . . -60.36 -137.21 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -134.16 111.46 10.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 0.785 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.62 ' HB3' ' CG2' ' A' ' 23' ' ' VAL . . . -111.12 23.29 14.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.354 1.034 . . . . 0.0 109.315 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 17.5 m -50.76 -69.96 0.1 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 110.408 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 23.5 mt-10 -62.18 -38.83 90.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.412 1.07 . . . . 0.0 110.24 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.562 ' O ' HG13 ' A' ' 61' ' ' VAL . 3.6 m120 -61.59 -20.32 63.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.701 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.6 OUTLIER -95.33 -40.2 9.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -77.3 -34.64 55.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' A' ' 56' ' ' GLU . 12.0 t70 -59.09 -42.14 89.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.701 HG22 ' O ' ' A' ' 58' ' ' PHE . 5.0 m -70.97 -16.41 19.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 57.8 85.27 0.03 OUTLIER Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.549 1.155 . . . . 0.0 111.029 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.479 ' CE1' ' CG2' ' A' ' 61' ' ' VAL . 34.7 m80 -69.98 140.04 52.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.433 0.725 . . . . 0.0 109.598 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.7 m -81.55 170.14 16.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.002 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -50.95 -46.3 60.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 110.431 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -41.04 -41.36 1.67 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.39 -46.51 66.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.256 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 65' ' ' THR . 3.2 ttt85 -39.21 -45.89 1.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.316 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -66.84 -54.99 16.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 110.266 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.467 ' O ' ' C ' ' A' ' 71' ' ' SER . 0.8 OUTLIER -55.32 -66.85 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.276 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.606 ' HB3' ' CE2' ' A' ' 30' ' ' TYR . 74.0 m -33.12 -58.0 0.38 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 109.986 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.26 -50.15 74.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.46 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -57.66 -31.35 66.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.44 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.56 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 44.0 m-85 -100.0 37.94 1.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 111.075 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -112.15 139.85 34.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.35 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.817 HD11 HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -123.15 -38.01 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.496 ' N ' HG12 ' A' ' 76' ' ' ILE . . . 174.69 -159.76 28.64 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.553 1.158 . . . . 0.0 110.991 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -122.68 170.13 10.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 0.784 . . . . 0.0 110.244 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 1.076 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -105.97 150.86 25.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.643 ' N ' HD22 ' A' ' 79' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.622 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.523 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -100.98 109.21 21.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.967 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.523 ' CE1' ' HB3' ' A' ' 5' ' ' LYS . 15.9 m-85 -97.4 151.51 19.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 111.065 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.9 p -83.9 149.13 26.54 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.535 1.147 . . . . 0.0 110.363 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -53.55 -18.99 3.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.15 -38.13 89.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.311 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.47 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -58.63 -73.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 110.323 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.586 HG21 HG13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -35.3 -44.67 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.359 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.415 ' C ' ' N ' ' A' ' 15' ' ' HIS . 12.9 mm-40 -55.96 -78.97 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 110.335 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -47.55 -24.42 0.86 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.563 1.165 . . . . 0.0 109.197 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.415 ' N ' ' C ' ' A' ' 13' ' ' GLN . 82.3 m-70 -94.13 43.8 1.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.641 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.412 ' HG3' ' HB3' ' A' ' 50' ' ' ALA . 7.6 ttpp -110.16 32.94 4.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -129.82 161.71 30.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.167 . . . . 0.0 109.316 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.532 ' O ' HG23 ' A' ' 33' ' ' THR . 0.5 OUTLIER -47.35 -50.23 22.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.948 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.564 ' O ' HG21 ' A' ' 33' ' ' THR . 11.8 mptt -39.42 -58.82 1.17 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.8 m -135.83 96.49 3.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.013 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.4 m -102.29 109.87 21.66 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 110.383 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.409 ' O ' ' C ' ' A' ' 50' ' ' ALA . 11.0 m0 -109.05 162.39 14.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 107.962 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.483 ' CG1' ' HB2' ' A' ' 30' ' ' TYR . 14.7 p -154.0 119.74 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.586 HG13 HG21 ' A' ' 12' ' ' ILE . 23.4 mt -69.54 113.39 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.64 HD22 ' CD2' ' A' ' 30' ' ' TYR . 1.6 mp -122.18 115.73 22.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.4 ' C ' ' O ' ' A' ' 25' ' ' LEU . 7.6 p-80 38.83 60.31 1.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.622 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 64.5 m80 53.48 52.65 12.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.595 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.1 mttp -169.56 107.07 0.39 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.397 1.061 . . . . 0.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.812 HG23 HD11 ' A' ' 76' ' ' ILE . 10.2 m -69.1 140.37 18.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.575 1.172 . . . . 0.0 109.3 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.64 ' CD2' HD22 ' A' ' 25' ' ' LEU . 4.5 m-30 -116.81 107.84 15.12 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.49 1.119 . . . . 0.0 110.984 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -76.27 73.29 3.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' A' ' 36' ' ' LEU . 0.9 OUTLIER -90.81 38.51 0.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.564 HG21 ' O ' ' A' ' 19' ' ' LYS . 92.2 m -60.2 -54.99 39.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.378 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.52 -43.6 98.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.588 ' CD2' ' O ' ' A' ' 35' ' ' TYR . 88.0 t80 -90.05 27.14 1.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 111.0 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.609 HD13 ' C ' ' A' ' 36' ' ' LEU . 2.6 tm? -80.33 -49.11 11.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -89.95 -9.38 49.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.6 -21.26 28.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.338 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.625 ' CE1' HD21 ' A' ' 46' ' ' LEU . 5.5 t-160 -50.02 125.17 18.03 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 0.0 109.607 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.568 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.3 Cg_endo -74.94 -28.59 9.16 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.437 1.756 . . . . 0.0 111.081 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.46 -66.76 2.22 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.461 1.101 . . . . 0.0 111.066 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -173.99 146.54 8.79 Favored Glycine 0 CA--C 1.531 1.062 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.521 ' HA ' HD12 ' A' ' 46' ' ' LEU . 11.2 pt-20 -85.89 -29.91 23.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 0.766 . . . . 0.0 110.29 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.527 ' O ' ' N ' ' A' ' 48' ' ' GLU . 0.4 OUTLIER -73.75 -54.99 6.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.234 -179.911 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.42 ' H ' HG12 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -39.86 -29.45 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.625 HD21 ' CE1' ' A' ' 39' ' ' HIS . 2.0 mt -84.14 -63.54 1.33 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.632 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 1.1 mtm105 -57.2 -56.58 20.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.328 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.527 ' N ' ' O ' ' A' ' 44' ' ' GLU . 17.5 tp10 -33.27 -45.53 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.555 ' HG3' ' HB2' ' A' ' 54' ' ' ALA . 24.9 pt20 -130.73 47.4 2.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.32 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.632 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -68.5 -89.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.442 ' O ' ' HB ' ' A' ' 12' ' ' ILE . . . -42.61 -32.13 1.23 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.553 1.158 . . . . 0.0 111.023 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.464 ' O ' HD12 ' A' ' 24' ' ' ILE . . . -60.16 -137.54 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -136.89 109.91 7.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 0.757 . . . . 0.0 109.356 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.555 ' HB2' ' HG3' ' A' ' 49' ' ' GLN . . . -112.58 27.33 9.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.3 m -55.17 -59.05 5.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.361 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -66.33 -41.37 89.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 110.263 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.445 ' O ' HG13 ' A' ' 61' ' ' VAL . 1.2 m-80 -64.92 -14.33 59.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.813 ' CD1' ' CE1' ' A' ' 63' ' ' HIS . 78.0 t80 -98.57 -39.99 8.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 110.987 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -80.53 -34.98 35.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -57.42 -43.69 84.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.361 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.676 HG22 ' O ' ' A' ' 58' ' ' PHE . 9.5 m -67.22 -17.58 22.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.517 1.135 . . . . 0.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 61.31 84.02 0.06 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.538 1.149 . . . . 0.0 111.022 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.813 ' CE1' ' CD1' ' A' ' 58' ' ' PHE . 31.6 m80 -70.89 140.0 50.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 0.772 . . . . 0.0 109.668 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.0 p -80.63 170.04 16.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.973 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -52.15 -43.44 64.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.393 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -43.71 -41.13 4.63 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.531 1.145 . . . . 0.0 109.253 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.71 -46.72 71.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.123 . . . . 0.0 109.327 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.12 -46.88 3.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.263 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.11 -54.41 38.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 110.298 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.465 ' O ' ' C ' ' A' ' 71' ' ' SER . 1.2 mp -56.34 -66.2 0.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.592 ' HB3' ' CE2' ' A' ' 30' ' ' TYR . 58.8 m -33.65 -57.93 0.43 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.962 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.7 ' O ' HG22 ' A' ' 75' ' ' ILE . 1.9 tttt -56.28 -51.0 69.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.1 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -58.76 -30.56 67.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.378 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.543 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 40.2 m-85 -100.06 39.55 1.33 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.512 1.132 . . . . 0.0 111.028 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.7 HG22 ' O ' ' A' ' 72' ' ' LYS . 6.1 tt -114.69 140.0 37.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.812 HD11 HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -123.1 -37.82 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 109.356 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.445 ' N ' HG12 ' A' ' 76' ' ' ILE . . . 175.68 -167.98 40.1 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.548 1.155 . . . . 0.0 110.967 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -116.22 169.92 8.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 0.749 . . . . 0.0 110.347 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.724 HD22 ' C ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -102.49 150.15 23.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.555 1.159 . . . . 0.0 109.31 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.527 ' O ' HD22 ' A' ' 79' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.612 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.415 ' CE ' ' HA ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -100.96 113.82 27.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 111.068 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -101.57 160.0 14.81 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.524 1.14 . . . . 0.0 110.982 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.435 ' C ' ' N ' ' A' ' 10' ' ' GLU . 1.5 p -89.71 140.27 29.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.383 1.052 . . . . 0.0 110.401 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.489 HD23 ' N ' ' A' ' 10' ' ' GLU . 1.3 pt? -47.23 -22.54 0.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.245 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.489 ' N ' HD23 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -63.2 -31.68 72.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.496 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.6 OUTLIER -62.45 -75.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.281 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.522 HG21 HG13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -33.31 -40.28 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.326 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 11' ' ' GLU . 5.1 mm100 -59.85 -70.42 0.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.345 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -54.12 -29.97 46.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.363 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.426 ' NE2' ' HG3' ' A' ' 11' ' ' GLU . 75.4 m-70 -89.76 46.98 1.41 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.135 . . . . 0.0 109.565 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -109.63 20.23 18.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -116.5 169.77 9.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.705 ' O ' HG23 ' A' ' 33' ' ' THR . 0.3 OUTLIER -57.85 -49.73 75.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.967 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.553 ' O ' HG21 ' A' ' 33' ' ' THR . 0.0 OUTLIER -44.37 -45.73 9.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 42.1 m -138.07 96.59 3.23 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.54 1.15 . . . . 0.0 110.081 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.557 HG21 HD23 ' A' ' 36' ' ' LEU . 2.4 m -103.17 110.0 21.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 110.369 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 11.1 m0 -116.79 157.53 25.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 107.974 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.622 HG21 ' HB3' ' A' ' 54' ' ' ALA . 3.9 p -156.09 122.77 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.249 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.522 HG13 HG21 ' A' ' 12' ' ' ILE . 40.4 mt -69.01 114.54 6.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.616 HD13 HG22 ' A' ' 23' ' ' VAL . 1.1 mp -123.65 115.89 22.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 40.03 55.63 2.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 109.596 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 56.93 53.06 8.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.526 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -170.04 106.2 0.33 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.582 1.176 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.756 HG23 HD11 ' A' ' 76' ' ' ILE . 10.0 m -66.69 139.54 20.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.782 ' CE1' HD13 ' A' ' 75' ' ' ILE . 4.7 m-30 -116.57 108.58 16.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 110.992 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -79.63 77.44 6.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.472 HD11 HD13 ' A' ' 46' ' ' LEU . 0.6 OUTLIER -92.54 40.15 1.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.122 . . . . 0.0 109.264 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.705 HG23 ' O ' ' A' ' 18' ' ' SER . 60.3 m -59.08 -51.15 71.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.11 . . . . 0.0 110.426 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.35 -40.37 81.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.371 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.568 ' CD2' ' O ' ' A' ' 35' ' ' TYR . 82.1 t80 -90.07 24.4 2.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.575 1.172 . . . . 0.0 110.995 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.6 HD13 ' C ' ' A' ' 36' ' ' LEU . 1.5 tm? -80.65 -49.08 11.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.234 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -89.93 -7.95 52.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.222 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -87.09 -23.36 24.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.586 1.179 . . . . 0.0 110.336 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.657 ' CE1' HD21 ' A' ' 46' ' ' LEU . 5.2 t-160 -49.92 126.43 19.36 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 109.585 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.594 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.3 Cg_endo -75.03 -29.81 7.78 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.465 1.771 . . . . 0.0 110.958 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.13 -67.77 1.91 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.535 1.147 . . . . 0.0 110.949 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.07 149.91 11.22 Favored Glycine 0 CA--C 1.531 1.077 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.477 ' HA ' HD12 ' A' ' 46' ' ' LEU . 9.4 pt-20 -87.72 -22.8 24.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 0.797 . . . . 0.0 110.255 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 48' ' ' GLU . 2.1 mt-10 -81.35 -54.46 5.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.265 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.42 ' H ' HG12 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -39.98 -29.18 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.657 HD21 ' CE1' ' A' ' 39' ' ' HIS . 1.3 mt -84.53 -60.73 1.98 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.596 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 23.9 mtm105 -58.62 -57.35 13.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.344 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 44' ' ' GLU . 23.7 tt0 -32.96 -45.3 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.336 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.448 ' HG3' ' HB2' ' A' ' 54' ' ' ALA . 8.9 pt20 -130.56 49.77 2.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.439 1.087 . . . . 0.0 110.247 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.596 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -70.74 -91.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 109.293 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.42 ' O ' ' HB ' ' A' ' 12' ' ' ILE . . . -40.11 -34.15 0.55 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.456 1.097 . . . . 0.0 110.937 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 51' ' ' GLY . . . -59.35 -143.67 0.01 OUTLIER Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -126.91 114.3 17.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 0.784 . . . . 0.0 109.252 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.622 ' HB3' HG21 ' A' ' 23' ' ' VAL . . . -115.93 25.28 10.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.7 m -57.9 -62.44 1.81 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.372 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -62.67 -39.32 93.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.59 1.181 . . . . 0.0 110.353 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.626 ' O ' HG13 ' A' ' 61' ' ' VAL . 1.8 m120 -64.42 -22.65 67.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.635 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.3 OUTLIER -88.69 -40.04 13.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 111.034 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -78.4 -35.97 46.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 110.256 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -56.25 -44.68 79.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.635 HG22 ' O ' ' A' ' 58' ' ' PHE . 5.9 m -69.23 -17.48 21.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 61.59 83.4 0.07 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.486 1.116 . . . . 0.0 110.958 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.495 ' CE1' ' CG2' ' A' ' 61' ' ' VAL . 38.1 m80 -71.28 140.02 50.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 0.751 . . . . 0.0 109.583 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 38.5 m -85.79 169.94 12.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.422 1.076 . . . . 0.0 109.98 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.478 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.1 m -48.13 -48.01 34.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 110.443 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.1 -38.32 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.2 -46.32 42.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 65' ' ' THR . 3.7 mtt-85 -46.28 -37.07 6.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 110.308 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -71.68 -54.51 10.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.16 . . . . 0.0 110.319 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.528 ' O ' ' N ' ' A' ' 73' ' ' THR . 0.4 OUTLIER -57.57 -62.53 1.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.344 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.601 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 3.2 p -39.31 -55.48 1.71 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 0.0 109.965 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.888 ' O ' HG22 ' A' ' 75' ' ' ILE . 0.3 OUTLIER -59.43 -36.28 75.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.385 1.053 . . . . 0.0 109.265 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.528 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -72.97 -29.79 63.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.383 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.535 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 36.3 m-85 -100.19 37.86 1.59 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 110.98 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.888 HG22 ' O ' ' A' ' 72' ' ' LYS . 8.4 tp -107.83 139.82 28.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.445 1.091 . . . . 0.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.756 HD11 HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -124.57 -33.86 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.09 . . . . 0.0 109.294 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.438 ' N ' HG12 ' A' ' 76' ' ' ILE . . . 170.51 -167.72 40.84 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -117.17 170.02 8.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 0.761 . . . . 0.0 110.228 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.718 HD22 ' C ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -101.57 148.99 24.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.351 179.931 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.621 ' O ' HD22 ' A' ' 79' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.596 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.416 ' HA ' ' CE ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -100.98 118.94 37.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -107.35 160.08 15.89 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.425 1.078 . . . . 0.0 110.952 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.9 p -90.47 146.33 24.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 110.428 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -51.42 -20.42 1.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -64.2 -34.6 78.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.575 1.172 . . . . 0.0 110.32 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.485 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.1 OUTLIER -60.09 -75.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 110.342 179.928 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.51 HD13 ' H ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -34.28 -44.61 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.42 1.075 . . . . 0.0 109.242 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -54.6 -63.49 1.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.108 . . . . 0.0 110.27 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.3 ptpm? -63.01 -24.37 67.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.273 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.423 ' C ' ' O ' ' A' ' 20' ' ' SER . 57.1 m-70 -94.62 44.38 1.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 109.643 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.83 28.92 8.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -129.4 169.81 14.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.688 ' O ' HG23 ' A' ' 33' ' ' THR . 1.0 OUTLIER -55.19 -49.53 71.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.477 1.11 . . . . 0.0 110.04 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.72 ' O ' HG21 ' A' ' 33' ' ' THR . 5.4 ttmt -42.63 -54.51 3.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 15' ' ' HIS . 4.7 m -133.1 90.39 2.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.013 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.734 HG21 HD23 ' A' ' 36' ' ' LEU . 1.6 m -96.39 111.38 23.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.427 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.402 ' O ' ' C ' ' A' ' 50' ' ' ALA . 10.6 m0 -118.75 159.45 23.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 108.039 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.616 ' CG2' ' HB3' ' A' ' 54' ' ' ALA . 8.2 p -154.98 121.72 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.49 HG13 HG21 ' A' ' 12' ' ' ILE . 24.3 mt -70.92 110.54 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.62 HD22 ' CD2' ' A' ' 30' ' ' TYR . 1.1 mp -118.49 124.93 48.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.525 ' CE1' ' HB3' ' A' ' 25' ' ' LEU . 0.0 OUTLIER 39.67 43.83 1.17 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 109.565 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.4 m80 67.04 49.61 1.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 109.559 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.494 ' HG2' ' CB ' ' A' ' 78' ' ' GLU . 4.2 mtmm -166.03 115.71 0.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.867 HG23 HD11 ' A' ' 76' ' ' ILE . 11.3 m -69.19 141.05 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.258 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.62 ' CD2' HD22 ' A' ' 25' ' ' LEU . 3.3 m-30 -117.87 107.58 14.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 111.031 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -76.49 82.61 3.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 36' ' ' LEU . 0.9 OUTLIER -101.38 36.49 2.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.28 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.72 HG21 ' O ' ' A' ' 19' ' ' LYS . 16.4 m -60.0 -42.5 94.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 110.385 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.5 ttmm -74.11 -40.73 62.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.544 ' HB2' ' CZ ' ' A' ' 74' ' ' TYR . 91.9 t80 -89.97 17.59 6.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.62 1.2 . . . . 0.0 110.972 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.734 HD23 HG21 ' A' ' 21' ' ' THR . 1.8 tm? -71.86 -48.31 46.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.36 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -90.0 -7.58 53.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.321 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -86.76 -23.87 25.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.23 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.679 ' CE1' HD21 ' A' ' 46' ' ' LEU . 5.0 t-160 -49.93 126.48 19.44 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 109.62 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.591 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.2 Cg_endo -75.01 -28.3 9.26 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.507 1.793 . . . . 0.0 110.948 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.48 -68.76 1.55 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.456 1.097 . . . . 0.0 110.986 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.05 148.34 9.94 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.47 ' HA ' HD12 ' A' ' 46' ' ' LEU . 0.4 OUTLIER -85.58 -17.77 35.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.547 0.792 . . . . 0.0 110.302 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' A' ' 48' ' ' GLU . 5.4 tt0 -86.09 -53.8 4.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.367 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.406 ' H ' HG12 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -40.28 -28.9 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.679 HD21 ' CE1' ' A' ' 39' ' ' HIS . 0.8 OUTLIER -85.1 -61.81 1.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.503 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 24.0 mtm180 -56.12 -57.13 13.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 110.288 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 44' ' ' GLU . 2.9 tp10 -34.67 -44.66 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 110.254 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.503 ' HG3' ' HB2' ' A' ' 54' ' ' ALA . 5.1 pt20 -131.47 54.04 1.95 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.429 1.081 . . . . 0.0 110.294 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.503 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -77.39 -90.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.405 ' O ' ' HB ' ' A' ' 12' ' ' ILE . . . -40.18 -33.71 0.52 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.465 1.103 . . . . 0.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.49 -138.83 0.01 OUTLIER Glycine 0 CA--C 1.529 0.932 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -132.36 113.83 13.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.423 0.72 . . . . 0.0 109.339 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.616 ' HB3' ' CG2' ' A' ' 23' ' ' VAL . . . -115.17 24.59 11.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.42 1.075 . . . . 0.0 109.291 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.6 m -54.71 -61.4 2.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.435 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -63.9 -40.71 97.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.256 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.555 ' O ' HG13 ' A' ' 61' ' ' VAL . 17.1 m-80 -63.86 -17.91 63.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.637 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.4 OUTLIER -94.86 -40.02 9.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 110.965 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -78.65 -36.37 43.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.256 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -57.37 -44.01 84.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.637 HG22 ' O ' ' A' ' 58' ' ' PHE . 6.1 m -69.01 -16.3 20.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 59.03 84.97 0.04 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.481 1.113 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.473 ' CE1' ' CG2' ' A' ' 61' ' ' VAL . 29.3 m80 -70.15 139.98 52.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 0.777 . . . . 0.0 109.542 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 m -82.15 169.95 16.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.955 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -50.74 -46.57 59.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.408 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -41.62 -38.64 1.42 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.435 1.085 . . . . 0.0 109.244 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.68 -46.65 62.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.448 1.093 . . . . 0.0 109.325 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 65' ' ' THR . 0.0 OUTLIER -42.4 -42.96 3.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.443 1.089 . . . . 0.0 110.323 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.88 -53.89 23.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.422 1.076 . . . . 0.0 110.289 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.48 ' O ' ' C ' ' A' ' 71' ' ' SER . 1.2 mp -56.94 -65.37 0.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.348 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.618 ' HB3' ' CE2' ' A' ' 30' ' ' TYR . 53.3 m -32.36 -58.97 0.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.004 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.416 ' O ' HG22 ' A' ' 75' ' ' ILE . 0.7 OUTLIER -56.86 -50.78 71.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 109.342 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.475 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -56.9 -32.99 66.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.392 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.544 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 50.2 m-85 -99.47 40.65 1.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.157 . . . . 0.0 111.001 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.416 HD11 ' HD2' ' A' ' 28' ' ' LYS . 3.2 tt -115.43 139.92 39.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.365 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.867 HD11 HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -121.25 -38.26 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.457 ' N ' HG12 ' A' ' 76' ' ' ILE . . . 176.64 -162.82 31.53 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.461 1.101 . . . . 0.0 110.93 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.494 ' CB ' ' HG2' ' A' ' 28' ' ' LYS . 6.1 pt-20 -119.73 162.44 19.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 0.728 . . . . 0.0 110.406 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 1.087 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -94.83 144.22 25.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.533 ' N ' HD22 ' A' ' 79' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.117 . . . . 0.0 109.616 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.575 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -100.92 104.93 16.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 111.026 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.575 ' CE1' ' HB3' ' A' ' 5' ' ' LYS . 14.5 m-85 -91.36 149.67 21.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.574 1.171 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.409 ' C ' ' N ' ' A' ' 10' ' ' GLU . 1.2 p -79.78 142.22 35.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.376 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.415 ' O ' HG12 ' A' ' 12' ' ' ILE . 1.3 pt? -50.07 -20.35 0.95 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.226 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.409 ' N ' ' C ' ' A' ' 8' ' ' THR . 0.8 OUTLIER -62.07 -30.93 71.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.308 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.52 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -66.18 -75.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.313 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.52 ' C ' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -31.56 -42.37 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.334 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 11' ' ' GLU . 2.8 mm-40 -57.71 -73.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.332 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.43 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 1.8 ptpm? -48.56 -23.24 0.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.224 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.402 ' N ' ' C ' ' A' ' 13' ' ' GLN . 58.6 m-70 -92.23 49.99 1.58 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.53 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.5 mtmt -110.17 26.91 10.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 109.251 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -132.19 166.28 22.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.642 ' O ' HG23 ' A' ' 33' ' ' THR . 0.2 OUTLIER -54.7 -47.24 73.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 110.043 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.6 ' O ' HG21 ' A' ' 33' ' ' THR . 0.3 OUTLIER -40.07 -51.86 2.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.3 m -140.07 98.26 3.41 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.581 1.176 . . . . 0.0 109.968 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.581 HG21 ' CD2' ' A' ' 36' ' ' LEU . 0.4 OUTLIER -104.19 109.96 21.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.36 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.476 ' CD1' ' HA ' ' A' ' 31' ' ' ASP . 8.6 m0 -113.01 158.42 20.3 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.524 1.14 . . . . 0.0 107.943 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.52 ' CG2' ' HB3' ' A' ' 54' ' ' ALA . 10.6 p -155.13 121.2 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 0.0 109.339 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.444 HG13 HG21 ' A' ' 12' ' ' ILE . 39.3 mt -70.18 110.42 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.579 HD22 ' CD2' ' A' ' 30' ' ' TYR . 0.9 OUTLIER -119.45 119.24 33.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.387 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.46 ' NE2' ' CD ' ' A' ' 59' ' ' GLU . 16.9 m80 39.81 55.91 2.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.611 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.6 m170 54.76 51.15 14.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.61 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.439 ' HD2' HD11 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -167.65 101.71 0.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.781 HG23 HD11 ' A' ' 76' ' ' ILE . 5.5 m -60.96 141.46 17.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.849 ' CE1' HD13 ' A' ' 75' ' ' ILE . 3.7 m-30 -116.84 104.46 11.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 111.029 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.476 ' HA ' ' CD1' ' A' ' 22' ' ' TRP . 48.0 t0 -72.96 71.05 1.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.418 HD23 HG12 ' A' ' 23' ' ' VAL . 0.7 OUTLIER -89.45 42.83 1.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.271 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.642 HG23 ' O ' ' A' ' 18' ' ' SER . 65.5 m -64.5 -54.13 37.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.353 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.98 -39.57 95.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.532 ' HB2' ' CZ ' ' A' ' 74' ' ' TYR . 88.6 t80 -90.05 17.47 6.88 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.491 1.119 . . . . 0.0 111.033 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.584 HD13 ' C ' ' A' ' 36' ' ' LEU . 2.6 tm? -72.32 -50.03 30.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -89.46 -8.21 53.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.281 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -85.67 -24.25 27.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.266 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.659 ' CE1' HD21 ' A' ' 46' ' ' LEU . 5.4 t-160 -49.8 126.15 18.28 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.481 1.113 . . . . 0.0 109.656 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.592 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.5 Cg_endo -75.02 -30.45 7.12 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.492 1.785 . . . . 0.0 111.001 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.67 -66.77 2.32 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.523 1.139 . . . . 0.0 110.949 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.07 153.89 18.04 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.428 ' HA ' HD12 ' A' ' 46' ' ' LEU . 15.2 pt-20 -90.47 -25.7 20.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 0.734 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' A' ' 48' ' ' GLU . 10.5 tt0 -79.49 -52.82 7.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.323 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.415 ' H ' HG12 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -39.94 -29.49 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.659 HD21 ' CE1' ' A' ' 39' ' ' HIS . 0.6 OUTLIER -87.17 -52.86 5.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.36 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.599 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 1.7 mtp85 -62.63 -60.01 4.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 44' ' ' GLU . 0.3 OUTLIER -34.08 -44.57 0.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.429 1.08 . . . . 0.0 110.285 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.501 HE22 ' CG ' ' A' ' 57' ' ' ASN . 26.3 pt20 -128.83 48.74 2.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 110.29 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.599 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -73.01 -91.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.422 ' CA ' ' HB ' ' A' ' 12' ' ' ILE . . . -42.23 -32.41 1.11 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.5 -137.24 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -135.09 114.95 12.91 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.499 0.764 . . . . 0.0 109.268 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.52 ' HB3' ' CG2' ' A' ' 23' ' ' VAL . . . -113.95 26.14 10.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.258 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.411 ' O ' ' HB3' ' A' ' 58' ' ' PHE . 28.8 m -50.04 -72.06 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.396 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.491 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 9.9 mt-10 -60.76 -36.49 79.08 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.568 1.168 . . . . 0.0 110.285 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.501 ' CG ' HE22 ' A' ' 49' ' ' GLN . 2.6 m-80 -65.97 -16.19 63.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.804 ' CD1' ' CE1' ' A' ' 63' ' ' HIS . 71.5 t80 -99.38 -40.05 8.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.994 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.46 ' CD ' ' NE2' ' A' ' 26' ' ' HIS . 2.6 mm-40 -80.98 -30.42 35.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.368 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 40.3 t0 -58.87 -44.15 91.04 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.604 HG22 ' O ' ' A' ' 58' ' ' PHE . 5.7 m -69.12 -15.26 19.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 59.62 84.18 0.05 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.454 1.096 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.804 ' CE1' ' CD1' ' A' ' 58' ' ' PHE . 35.7 m80 -70.75 140.17 51.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 109.573 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 68.1 m -82.2 169.94 16.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.94 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -50.07 -47.37 53.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.404 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 65' ' ' THR . 0.5 OUTLIER -40.4 -41.4 1.38 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.97 -46.92 66.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 65' ' ' THR . 43.4 ttt85 -42.95 -40.22 2.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.345 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.7 -49.96 48.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.582 1.176 . . . . 0.0 110.347 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 73' ' ' THR . 0.4 OUTLIER -60.58 -65.03 0.75 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.397 1.061 . . . . 0.0 109.287 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.59 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 2.3 p -37.19 -54.82 1.01 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.033 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.872 ' O ' HG22 ' A' ' 75' ' ' ILE . 10.6 tptt -60.3 -42.36 95.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.347 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.504 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -66.34 -30.11 70.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.615 1.197 . . . . 0.0 110.356 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.532 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 36.8 m-85 -100.11 38.4 1.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 111.062 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.872 HG22 ' O ' ' A' ' 72' ' ' LYS . 8.0 tp -108.45 139.85 29.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.222 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.781 HD11 HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -126.82 -34.98 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.446 1.091 . . . . 0.0 109.354 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.442 ' N ' HG12 ' A' ' 76' ' ' ILE . . . 167.85 -162.97 36.77 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.581 1.176 . . . . 0.0 111.032 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -121.06 170.0 9.95 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.558 0.799 . . . . 0.0 110.264 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.767 HD22 ' C ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -108.55 151.1 26.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.473 ' O ' HD22 ' A' ' 79' ' ' LEU . 4.3 t-160 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.664 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.501 ' HA ' ' CE ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -100.79 118.67 37.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 111.026 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -109.24 152.29 25.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.943 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.4 p -80.64 151.46 28.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.352 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.71 -16.89 12.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.103 . . . . 0.0 109.323 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -68.27 -36.14 78.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.355 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.486 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -57.77 -74.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 110.292 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.486 ' C ' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -33.78 -46.87 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -53.17 -69.14 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 110.295 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 0.9 OUTLIER -56.23 -18.8 11.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.445 1.091 . . . . 0.0 109.326 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.407 ' NE2' ' HG3' ' A' ' 11' ' ' GLU . 75.3 m-70 -99.56 43.39 1.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.536 1.148 . . . . 0.0 109.597 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.446 ' HG3' ' HB3' ' A' ' 50' ' ' ALA . 8.4 ttpp -109.6 29.26 7.75 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.469 1.106 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -126.83 161.19 28.82 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.595 ' O ' HG23 ' A' ' 33' ' ' THR . 14.1 m -49.63 -48.02 49.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.54 1.15 . . . . 0.0 109.956 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.708 ' O ' HG21 ' A' ' 33' ' ' THR . 0.0 OUTLIER -40.96 -54.43 2.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.5 m -139.96 98.22 3.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.565 1.166 . . . . 0.0 109.932 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.1 m -103.3 112.66 25.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.379 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.422 ' O ' ' C ' ' A' ' 50' ' ' ALA . 13.3 m0 -110.72 163.55 13.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 108.023 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.725 ' CG2' ' HB3' ' A' ' 54' ' ' ALA . 5.4 p -159.71 115.27 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.406 HD12 ' O ' ' A' ' 52' ' ' GLY . 7.8 mt -65.34 110.95 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.355 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.678 HD13 HG22 ' A' ' 23' ' ' VAL . 1.1 mp -117.58 118.65 32.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.468 ' CE1' ' HB3' ' A' ' 25' ' ' LEU . 0.1 OUTLIER 39.7 53.83 2.5 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.54 1.15 . . . . 0.0 109.58 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.488 ' O ' ' CG ' ' A' ' 28' ' ' LYS . 1.3 m-70 59.46 51.83 6.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.64 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.617 ' HD2' HD11 ' A' ' 75' ' ' ILE . 1.9 mtmm -169.4 109.22 0.44 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 0.0 109.253 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.803 HG23 HD11 ' A' ' 76' ' ' ILE . 10.1 m -68.88 140.48 18.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.608 ' CD2' HD22 ' A' ' 25' ' ' LEU . 4.3 m-30 -116.92 108.74 16.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -76.79 70.62 3.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 36' ' ' LEU . 0.6 OUTLIER -89.78 42.66 1.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.708 HG21 ' O ' ' A' ' 19' ' ' LYS . 97.7 m -62.95 -53.0 60.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.16 . . . . 0.0 110.454 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -39.8 93.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.528 ' HB2' ' CZ ' ' A' ' 74' ' ' TYR . 86.7 t80 -89.62 18.49 5.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.617 HD13 ' C ' ' A' ' 36' ' ' LEU . 2.5 tm? -73.92 -49.71 23.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.93 -8.29 52.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.326 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -86.07 -22.48 27.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.257 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.626 ' CE1' HD21 ' A' ' 46' ' ' LEU . 5.4 t-160 -49.85 126.25 18.69 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.596 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.594 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.0 Cg_endo -75.08 -30.07 7.44 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.595 1.839 . . . . 0.0 110.916 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.07 -68.11 1.78 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.439 1.087 . . . . 0.0 110.966 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.03 147.8 9.58 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.525 ' HA ' HD12 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -85.54 -25.94 26.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 0.745 . . . . 0.0 110.33 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 48' ' ' GLU . 6.5 mm-40 -77.17 -54.67 6.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 110.298 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.405 HG12 ' H ' ' A' ' 45' ' ' VAL . 0.2 OUTLIER -39.97 -29.24 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.348 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.626 HD21 ' CE1' ' A' ' 39' ' ' HIS . 1.2 mt -84.79 -65.84 0.96 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.577 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -53.51 -54.92 30.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 110.284 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 44' ' ' GLU . 50.1 tt0 -35.8 -44.84 0.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.417 1.073 . . . . 0.0 110.269 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.432 ' HG3' ' HB2' ' A' ' 54' ' ' ALA . 18.5 pt20 -131.49 49.03 2.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.261 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.577 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -70.9 -93.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.353 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.433 ' CA ' ' HB ' ' A' ' 12' ' ' ILE . . . -39.16 -34.05 0.31 Allowed Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.571 1.17 . . . . 0.0 111.043 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 51' ' ' GLY . . . -59.64 -140.55 0.01 OUTLIER Glycine 0 CA--C 1.531 1.041 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -129.36 111.37 12.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.581 0.813 . . . . 0.0 109.274 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.725 ' HB3' ' CG2' ' A' ' 23' ' ' VAL . . . -113.57 25.38 11.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.8 m -57.14 -60.16 4.02 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.425 1.078 . . . . 0.0 110.422 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -63.33 -44.51 94.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.329 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.615 ' O ' HG13 ' A' ' 61' ' ' VAL . 1.6 m-80 -59.95 -19.9 54.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.643 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.4 OUTLIER -93.15 -39.8 10.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 111.005 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -77.86 -37.59 47.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 110.273 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -56.88 -43.63 81.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.643 HG22 ' O ' ' A' ' 58' ' ' PHE . 5.4 m -69.92 -16.8 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 58.92 85.4 0.04 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.514 1.134 . . . . 0.0 110.977 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.418 ' CE1' ' CG2' ' A' ' 61' ' ' VAL . 30.7 m80 -70.05 139.82 52.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 0.75 . . . . 0.0 109.644 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.2 p -83.29 168.96 16.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.059 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -50.38 -42.09 52.88 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 0.0 110.406 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -45.25 -40.34 7.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.63 -47.89 68.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.7 mmt-85 -48.46 -24.69 1.35 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 110.343 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -76.23 -55.45 5.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.284 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.527 ' N ' HD13 ' A' ' 70' ' ' LEU . 0.1 OUTLIER -66.35 -61.33 2.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.247 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.575 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -31.75 -55.9 0.28 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.436 1.085 . . . . 0.0 110.026 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.651 ' O ' HG22 ' A' ' 75' ' ' ILE . 0.5 OUTLIER -58.46 -53.18 61.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.293 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.475 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.7 OUTLIER -57.63 -29.33 64.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.399 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.528 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 45.7 m-85 -99.85 39.04 1.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 0.0 110.961 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.651 HG22 ' O ' ' A' ' 72' ' ' LYS . 7.3 tt -114.61 140.09 37.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.803 HD11 HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -123.75 -38.3 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.462 ' N ' HG12 ' A' ' 76' ' ' ILE . . . 176.15 -166.53 37.68 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.543 1.152 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -116.1 167.28 11.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 0.745 . . . . 0.0 110.279 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 1.103 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -99.07 141.4 31.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.216 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.548 ' N ' HD22 ' A' ' 79' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.638 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.476 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 8.7 mmmm . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -100.74 116.18 32.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 111.012 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.476 ' CE1' ' HB3' ' A' ' 5' ' ' LYS . 6.3 m-85 -107.2 138.17 43.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 111.009 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.1 p -69.57 157.31 37.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.571 1.169 . . . . 0.0 110.36 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.511 ' HA ' HD11 ' A' ' 12' ' ' ILE . 1.3 pt? -58.55 -15.26 10.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.445 ' N ' HD23 ' A' ' 9' ' ' LEU . 0.5 OUTLIER -68.62 -39.81 80.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.327 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.54 ' CG ' ' NE2' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -54.93 -73.38 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.328 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.511 ' C ' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -30.71 -57.22 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -42.54 -57.7 2.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 110.339 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 11' ' ' GLU . 46.2 mmtt -52.17 -44.31 64.56 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.507 1.13 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.54 ' NE2' ' CG ' ' A' ' 11' ' ' GLU . 3.6 m-70 -79.34 59.09 2.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.087 . . . . 0.0 109.595 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -110.1 15.77 22.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -122.93 169.09 11.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.758 ' O ' HG23 ' A' ' 33' ' ' THR . 0.9 OUTLIER -58.75 -44.95 90.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.023 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.683 ' O ' HG21 ' A' ' 33' ' ' THR . 18.2 mttm -45.31 -45.39 12.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.6 m -139.96 100.1 3.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.971 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.417 HG21 HD23 ' A' ' 36' ' ' LEU . 1.5 m -109.27 110.0 21.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.39 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.421 ' CZ3' ' CD2' ' A' ' 7' ' ' TYR . 8.2 m0 -115.12 159.66 20.61 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.566 1.166 . . . . 0.0 107.995 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.662 HG22 HD13 ' A' ' 25' ' ' LEU . 3.9 p -158.64 120.67 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.325 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.521 HD12 ' O ' ' A' ' 52' ' ' GLY . 6.1 mt -69.38 115.4 8.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.662 HD13 HG22 ' A' ' 23' ' ' VAL . 1.7 mp -122.27 115.21 21.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.364 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.563 ' O ' ' CG ' ' A' ' 27' ' ' HIS . 14.3 p-80 39.2 60.53 1.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.167 . . . . 0.0 109.569 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.563 ' CG ' ' O ' ' A' ' 26' ' ' HIS . 32.6 p-80 52.98 51.7 15.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.624 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.538 ' CE ' HD11 ' A' ' 75' ' ' ILE . 1.1 mttp -169.41 100.62 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.802 HG23 HD11 ' A' ' 76' ' ' ILE . 5.7 m -63.95 141.99 17.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.658 ' CD2' HD22 ' A' ' 25' ' ' LEU . 4.5 m-30 -117.68 107.68 14.5 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.501 1.126 . . . . 0.0 110.965 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.403 ' HA ' ' CD1' ' A' ' 22' ' ' TRP . 10.9 t0 -76.95 79.11 3.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -98.68 54.22 1.03 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 0.0 109.321 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.758 HG23 ' O ' ' A' ' 18' ' ' SER . 89.6 m -74.9 -45.57 41.79 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 110.433 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.14 -37.69 69.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.536 ' HB2' ' CZ ' ' A' ' 74' ' ' TYR . 91.7 t80 -88.91 14.93 9.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.529 HD21 ' HG3' ' A' ' 47' ' ' ARG . 1.7 tm? -69.91 -48.72 57.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.68 -7.96 53.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 110.335 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.33 -24.79 25.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 110.325 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.711 ' CE1' HD21 ' A' ' 46' ' ' LEU . 5.9 t-160 -50.25 125.19 19.11 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.567 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.55 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.5 Cg_endo -74.95 -28.33 9.36 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.474 1.776 . . . . 0.0 111.035 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.97 -68.61 1.6 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.511 1.132 . . . . 0.0 111.032 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.1 144.28 7.48 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.408 ' HA ' HD12 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -83.77 -9.59 58.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 0.746 . . . . 0.0 110.303 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.479 ' O ' ' N ' ' A' ' 48' ' ' GLU . 0.5 OUTLIER -94.8 -54.04 3.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 110.319 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 44' ' ' GLU . 0.2 OUTLIER -39.97 -29.14 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.711 HD21 ' CE1' ' A' ' 39' ' ' HIS . 0.7 OUTLIER -82.95 -64.16 1.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 109.327 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.643 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 10.6 mtm180 -54.67 -55.37 30.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 44' ' ' GLU . 4.9 tt0 -34.05 -41.1 0.1 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 110.261 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.24 46.59 2.27 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 0.0 110.315 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.643 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -67.31 -93.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.423 ' CA ' ' HB ' ' A' ' 12' ' ' ILE . . . -40.04 -30.65 0.26 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.545 1.153 . . . . 0.0 111.018 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.521 ' O ' HD12 ' A' ' 24' ' ' ILE . . . -60.35 -138.18 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -134.29 110.86 9.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 0.791 . . . . 0.0 109.271 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.517 ' HB3' HG21 ' A' ' 23' ' ' VAL . . . -114.05 21.18 15.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.8 m -50.26 -58.61 5.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.419 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.521 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 5.7 mt-10 -69.46 -41.92 75.59 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.494 1.122 . . . . 0.0 110.264 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -64.31 -12.0 37.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.784 ' CD1' ' CE1' ' A' ' 63' ' ' HIS . 68.9 t80 -99.08 -49.33 4.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.988 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 60' ' ' ASP . 1.0 OUTLIER -75.86 -27.97 58.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.309 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.521 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 14.1 t0 -59.37 -46.13 89.5 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.753 HG22 ' O ' ' A' ' 58' ' ' PHE . 8.0 m -66.01 -18.17 23.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 66.53 84.4 0.09 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.461 1.1 . . . . 0.0 110.925 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.784 ' CE1' ' CD1' ' A' ' 58' ' ' PHE . 36.6 m80 -72.82 140.08 47.42 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 0.756 . . . . 0.0 109.554 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.56 169.75 14.1 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.528 1.142 . . . . 0.0 109.993 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 68' ' ' ARG . 0.9 OUTLIER -49.49 -45.19 46.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.339 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -42.05 -37.95 1.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.346 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -73.12 -45.71 55.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.232 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 65' ' ' THR . 1.0 OUTLIER -48.44 -25.83 1.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.09 . . . . 0.0 110.309 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.43 -52.89 7.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.327 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.492 ' O ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -64.52 -62.75 1.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.358 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.587 ' HB3' ' CE2' ' A' ' 30' ' ' TYR . 34.3 m -32.07 -54.5 0.3 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.947 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.679 ' O ' HG22 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -59.96 -53.91 52.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.46 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.7 OUTLIER -56.32 -29.6 61.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.355 -179.928 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.536 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 45.9 m-85 -100.12 37.21 1.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.679 HG22 ' O ' ' A' ' 72' ' ' LYS . 7.1 tt -112.62 140.58 31.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.802 HD11 HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -124.12 -38.38 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.459 ' N ' HG12 ' A' ' 76' ' ' ILE . . . 179.83 -157.67 20.7 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.484 1.115 . . . . 0.0 111.012 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.409 ' HA ' ' HA ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -125.29 160.3 29.62 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 0.769 . . . . 0.0 110.351 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 1.023 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -83.22 144.22 29.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.074 . . . . 0.0 109.272 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.552 ' O ' HD22 ' A' ' 79' ' ' LEU . 4.7 t60 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.6 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.464 ' HA ' ' CE ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -100.98 117.5 35.15 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.465 1.103 . . . . 0.0 111.022 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.456 ' CE1' ' HG3' ' A' ' 5' ' ' LYS . 13.7 m-85 -107.84 150.2 27.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.389 1.055 . . . . 0.0 111.041 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.409 ' C ' ' N ' ' A' ' 10' ' ' GLU . 2.2 p -84.75 146.93 27.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.395 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -49.38 -21.63 0.94 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.409 ' N ' ' C ' ' A' ' 8' ' ' THR . 3.0 mt-10 -61.93 -29.7 70.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 110.269 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.469 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -67.32 -75.05 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.296 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.511 HD13 ' H ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -35.28 -41.59 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -57.21 -77.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.416 ' HE3' ' NE2' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -50.29 -24.33 2.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 109.373 179.909 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.455 ' CD2' ' HG2' ' A' ' 11' ' ' GLU . 69.9 m-70 -94.22 44.53 1.12 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.603 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.464 ' HG3' ' HB3' ' A' ' 50' ' ' ALA . 15.8 ttpt -110.18 22.41 15.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -118.4 169.38 9.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.613 ' O ' HG23 ' A' ' 33' ' ' THR . 0.2 OUTLIER -56.58 -44.96 81.55 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.521 1.138 . . . . 0.0 110.003 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.662 ' O ' HG21 ' A' ' 33' ' ' THR . 0.0 OUTLIER -45.56 -51.94 11.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.5 m -135.44 96.33 3.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.049 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.702 HG21 HD23 ' A' ' 36' ' ' LEU . 1.4 m -98.45 109.87 22.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 110.402 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.44 ' CD1' ' HA ' ' A' ' 31' ' ' ASP . 12.7 m0 -118.16 157.03 27.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 108.009 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.67 HG22 HD13 ' A' ' 25' ' ' LEU . 3.4 p -156.04 125.25 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.587 ' O ' HD12 ' A' ' 25' ' ' LEU . 59.9 mt -68.34 116.34 8.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.67 HD13 HG22 ' A' ' 23' ' ' VAL . 2.4 mp -129.77 137.16 50.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 109.365 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.435 ' C ' ' O ' ' A' ' 25' ' ' LEU . 18.1 m80 37.64 36.32 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.587 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 70.0 48.2 0.55 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.598 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.552 ' CG ' ' O ' ' A' ' 25' ' ' LEU . 5.3 ptpp? -170.18 127.17 0.83 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.814 HG23 HD11 ' A' ' 76' ' ' ILE . 15.1 m -67.48 146.71 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.628 ' CD2' HD22 ' A' ' 25' ' ' LEU . 2.0 m-30 -120.26 96.85 5.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.962 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.44 ' HA ' ' CD1' ' A' ' 22' ' ' TRP . 22.5 t0 -64.73 78.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.439 HD23 ' O ' ' A' ' 30' ' ' TYR . 0.5 OUTLIER -102.33 41.68 1.21 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 109.329 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.662 HG21 ' O ' ' A' ' 19' ' ' LYS . 88.7 m -66.06 -46.87 76.24 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.479 1.112 . . . . 0.0 110.366 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.05 -43.05 79.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.565 ' HB2' ' CZ ' ' A' ' 74' ' ' TYR . 93.5 t80 -89.99 24.82 2.3 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 111.034 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.702 HD23 HG21 ' A' ' 21' ' ' THR . 1.3 tm? -76.68 -47.49 21.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -90.12 -11.66 40.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.289 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -82.08 -22.25 36.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.333 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.764 ' CE1' HD21 ' A' ' 46' ' ' LEU . 4.7 t-160 -49.94 126.57 19.65 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 109.601 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.583 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.4 Cg_endo -75.01 -29.58 8.05 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.532 1.806 . . . . 0.0 110.985 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.29 -67.01 2.15 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.545 1.153 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.06 144.18 7.43 Favored Glycine 0 CA--C 1.531 1.057 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.437 ' HA ' HD12 ' A' ' 46' ' ' LEU . 0.3 OUTLIER -84.53 -11.14 56.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.583 0.813 . . . . 0.0 110.294 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.474 ' O ' ' N ' ' A' ' 48' ' ' GLU . 1.0 OUTLIER -92.8 -53.38 4.19 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.488 1.118 . . . . 0.0 110.323 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.403 HG12 ' H ' ' A' ' 45' ' ' VAL . 0.2 OUTLIER -41.02 -27.67 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.764 HD21 ' CE1' ' A' ' 39' ' ' HIS . 0.7 OUTLIER -84.97 -61.01 1.88 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.576 ' HG3' HD21 ' A' ' 36' ' ' LEU . 8.4 mtm180 -58.58 -57.16 14.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.294 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 44' ' ' GLU . 7.1 tt0 -34.02 -44.79 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 110.308 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.435 ' HG3' ' HB2' ' A' ' 54' ' ' ALA . 3.5 pt20 -132.15 51.83 2.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.537 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -73.87 -91.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.349 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -41.47 -31.02 0.59 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.555 1.159 . . . . 0.0 111.035 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.53 -137.55 0.01 OUTLIER Glycine 0 CA--C 1.53 0.969 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -132.98 110.98 10.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 0.737 . . . . 0.0 109.295 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.667 ' HB3' HG21 ' A' ' 23' ' ' VAL . . . -113.97 18.19 17.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.353 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.8 m -49.95 -61.52 2.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 110.425 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -66.63 -41.94 87.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 0.0 110.271 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -64.13 -13.56 48.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.814 ' CD1' ' CE1' ' A' ' 63' ' ' HIS . 72.6 t80 -99.1 -40.45 8.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 110.978 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -80.09 -33.75 38.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.616 1.197 . . . . 0.0 110.34 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -57.44 -43.78 84.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.693 HG22 ' O ' ' A' ' 58' ' ' PHE . 7.8 m -67.4 -15.19 19.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 59.11 84.9 0.04 OUTLIER Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.526 1.141 . . . . 0.0 110.972 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.814 ' CE1' ' CD1' ' A' ' 58' ' ' PHE . 34.4 m80 -71.9 140.16 49.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 0.765 . . . . 0.0 109.601 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 20.5 m -81.23 169.98 16.66 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.427 1.08 . . . . 0.0 109.979 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -50.44 -47.46 56.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 110.407 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -40.58 -40.62 1.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.48 -46.63 59.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.24 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 65' ' ' THR . 80.4 mtt-85 -44.14 -34.29 1.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.59 1.181 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -76.37 -56.24 4.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.335 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.557 ' O ' ' N ' ' A' ' 73' ' ' THR . 0.3 OUTLIER -53.31 -61.48 2.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.594 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 8.0 p -40.3 -57.63 1.7 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.105 . . . . 0.0 109.976 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.817 ' O ' HG22 ' A' ' 75' ' ' ILE . 3.8 tttm -58.74 -28.85 66.26 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.413 1.07 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.557 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -80.03 -30.01 39.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.419 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.565 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 34.8 m-85 -100.18 37.13 1.71 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.091 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.817 HG22 ' O ' ' A' ' 72' ' ' LYS . 9.8 tp -107.46 139.8 28.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.814 HD11 HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -123.63 -33.75 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.434 1.084 . . . . 0.0 109.291 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 173.31 -163.69 35.26 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.432 ' HA ' ' HA ' ' A' ' 28' ' ' LYS . 10.9 pt-20 -124.53 164.91 18.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 0.722 . . . . 0.0 110.303 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.728 HD22 ' C ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -98.32 147.52 24.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.535 ' O ' HD22 ' A' ' 79' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.597 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.574 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -100.46 122.36 43.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 111.013 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.574 ' CE1' ' HB3' ' A' ' 5' ' ' LYS . 9.6 m-85 -109.74 148.68 30.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 111.048 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.9 p -75.12 155.75 36.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.403 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.488 ' HA ' HD11 ' A' ' 12' ' ' ILE . 1.5 pt? -62.56 -14.43 42.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.155 . . . . 0.0 109.355 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.82 -35.66 77.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.589 1.181 . . . . 0.0 110.303 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.582 ' HG3' ' CE1' ' A' ' 15' ' ' HIS . 0.2 OUTLIER -59.32 -71.2 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.338 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.497 HD13 ' H ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -36.49 -47.58 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.349 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.423 ' C ' ' N ' ' A' ' 15' ' ' HIS . 6.4 mm-40 -54.82 -81.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.203 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.443 ' HE3' ' CE1' ' A' ' 15' ' ' HIS . 0.2 OUTLIER -45.01 -26.32 0.42 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.579 1.174 . . . . 0.0 109.307 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.582 ' CE1' ' HG3' ' A' ' 11' ' ' GLU . 38.7 m80 -95.13 45.49 1.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.08 . . . . 0.0 109.629 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -109.69 26.82 10.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -122.39 169.21 11.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.6 ' O ' HG23 ' A' ' 33' ' ' THR . 0.5 OUTLIER -56.02 -48.67 75.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.586 1.179 . . . . 0.0 110.021 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.565 ' O ' HG21 ' A' ' 33' ' ' THR . 0.6 OUTLIER -40.9 -51.84 3.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.427 1.079 . . . . 0.0 109.305 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.4 m -138.43 94.14 2.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.998 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.678 HG21 HD23 ' A' ' 36' ' ' LEU . 1.7 m -96.69 113.36 24.92 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.142 . . . . 0.0 110.431 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 9.2 m0 -118.38 156.97 28.03 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.66 HG21 ' HB3' ' A' ' 54' ' ' ALA . 3.2 p -158.29 116.59 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.461 HD12 ' O ' ' A' ' 52' ' ' GLY . 5.8 mt -64.07 112.71 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.171 . . . . 0.0 109.244 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.636 HD13 HG22 ' A' ' 23' ' ' VAL . 0.7 OUTLIER -120.31 120.59 36.48 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 39.97 54.4 2.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.581 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.7 m170 56.83 50.43 12.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.611 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.411 ' HG2' HD11 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -170.01 103.13 0.3 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.823 HG23 HD11 ' A' ' 76' ' ' ILE . 7.9 m -60.88 142.42 15.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.593 ' CE2' ' HB3' ' A' ' 71' ' ' SER . 3.6 m-30 -116.97 109.85 17.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.938 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -80.55 81.83 6.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.088 . . . . 0.0 109.32 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -99.42 43.17 1.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.6 HG23 ' O ' ' A' ' 18' ' ' SER . 80.4 m -60.57 -48.22 82.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.427 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.97 -40.12 72.12 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.605 1.191 . . . . 0.0 109.317 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.586 ' CD2' ' O ' ' A' ' 35' ' ' TYR . 80.9 t80 -89.96 25.98 1.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 111.072 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.678 HD23 HG21 ' A' ' 21' ' ' THR . 1.7 tm? -82.0 -49.86 9.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.232 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -90.14 -6.89 54.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.27 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -87.63 -22.95 24.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.254 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.667 ' CE1' HD21 ' A' ' 46' ' ' LEU . 4.8 t-160 -50.05 126.76 20.59 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.564 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.597 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.4 Cg_endo -75.02 -28.74 8.87 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.512 1.796 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.47 -68.75 1.55 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.558 1.161 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.05 150.02 11.33 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.494 ' HA ' HD12 ' A' ' 46' ' ' LEU . 9.0 pt-20 -86.22 -27.08 24.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 0.771 . . . . 0.0 110.296 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.539 ' O ' ' N ' ' A' ' 48' ' ' GLU . 3.1 mt-10 -76.31 -54.73 6.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.425 1.078 . . . . 0.0 110.28 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 44' ' ' GLU . 0.2 OUTLIER -39.88 -28.98 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.667 HD21 ' CE1' ' A' ' 39' ' ' HIS . 1.2 mt -86.01 -57.85 2.87 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.536 1.148 . . . . 0.0 109.327 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.547 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 27.0 mtm180 -61.56 -57.87 10.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.414 1.071 . . . . 0.0 110.308 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.539 ' N ' ' O ' ' A' ' 44' ' ' GLU . 4.8 tt0 -33.52 -44.84 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 110.272 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -131.12 52.1 2.09 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.518 1.136 . . . . 0.0 110.327 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.547 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -74.37 -91.32 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.427 1.08 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.411 ' O ' ' HB ' ' A' ' 12' ' ' ILE . . . -39.77 -32.08 0.3 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.485 1.116 . . . . 0.0 110.974 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.461 ' O ' HD12 ' A' ' 24' ' ' ILE . . . -60.23 -138.8 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -133.87 110.99 10.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.527 0.781 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.66 ' HB3' HG21 ' A' ' 23' ' ' VAL . . . -110.18 28.56 8.5 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.515 1.134 . . . . 0.0 109.242 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.8 m -56.5 -69.64 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 110.355 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -60.65 -37.42 81.46 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.477 1.111 . . . . 0.0 110.333 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.6 ' O ' HG13 ' A' ' 61' ' ' VAL . 5.4 m-80 -62.55 -24.13 67.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.669 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.4 OUTLIER -90.84 -39.96 12.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 110.916 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -76.57 -35.38 58.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.437 1.085 . . . . 0.0 110.313 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -57.89 -43.36 86.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.08 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.669 HG22 ' O ' ' A' ' 58' ' ' PHE . 5.3 m -71.03 -15.38 18.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 58.79 85.1 0.04 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.509 1.131 . . . . 0.0 111.013 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.416 ' CE1' ' CG2' ' A' ' 61' ' ' VAL . 31.1 m80 -70.03 139.84 52.75 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.495 0.762 . . . . 0.0 109.534 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -81.7 170.01 16.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.008 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -50.74 -47.65 59.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.465 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -41.54 -40.1 1.76 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 109.244 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.67 -48.34 69.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.359 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 65' ' ' THR . 11.9 mtt-85 -45.89 -34.45 3.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.274 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -71.43 -56.1 6.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.329 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.476 ' O ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -58.96 -62.41 1.9 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.553 1.158 . . . . 0.0 109.335 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.593 ' HB3' ' CE2' ' A' ' 30' ' ' TYR . 58.8 m -32.86 -58.86 0.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.971 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.597 ' O ' HG22 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -55.85 -51.28 68.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 0.0 109.299 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.463 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -57.7 -32.64 67.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.132 . . . . 0.0 110.468 179.932 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.534 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 51.1 m-85 -99.86 41.81 1.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.977 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.597 HG22 ' O ' ' A' ' 72' ' ' LYS . 5.1 tt -116.7 139.88 41.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.551 1.157 . . . . 0.0 109.333 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.823 HD11 HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -123.03 -38.07 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.46 ' N ' HG12 ' A' ' 76' ' ' ILE . . . 173.78 -164.06 35.41 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.501 1.126 . . . . 0.0 111.042 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -120.49 163.96 17.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 0.78 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 1.092 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -91.79 148.38 22.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.335 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.51 ' N ' HD22 ' A' ' 79' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.57 1.169 . . . . 0.0 109.638 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.575 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.245 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -100.83 114.08 27.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 0.0 111.048 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.575 ' CE1' ' HB3' ' A' ' 5' ' ' LYS . 16.4 m-85 -104.69 151.0 24.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.105 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.9 p -78.43 149.38 33.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 110.381 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -54.43 -16.33 2.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -69.15 -39.1 79.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.166 . . . . 0.0 110.329 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.455 ' HG3' ' CE1' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -52.52 -67.52 0.25 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 110.278 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.458 ' HB ' ' CA ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -43.94 -50.74 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.266 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -48.44 -76.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.432 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -50.93 -30.45 14.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.408 1.068 . . . . 0.0 109.263 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.455 ' CE1' ' HG3' ' A' ' 11' ' ' GLU . 37.4 m80 -90.42 44.4 1.2 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.513 1.133 . . . . 0.0 109.594 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.488 ' HG3' ' HB3' ' A' ' 50' ' ' ALA . 25.0 tttt -110.41 31.2 6.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.435 1.085 . . . . 0.0 109.347 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.75 168.72 15.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.108 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.626 ' O ' HG23 ' A' ' 33' ' ' THR . 0.1 OUTLIER -52.72 -51.02 62.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.039 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.535 ' O ' HG21 ' A' ' 33' ' ' THR . 2.4 tttt -40.33 -53.41 2.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.9 m -135.37 96.22 3.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.425 1.078 . . . . 0.0 110.038 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.844 HG21 HD23 ' A' ' 36' ' ' LEU . 1.9 m -99.0 113.37 25.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 110.489 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.442 ' O ' ' C ' ' A' ' 50' ' ' ALA . 10.2 m0 -119.54 159.34 24.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.557 1.16 . . . . 0.0 107.981 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.619 ' CG2' ' HB3' ' A' ' 54' ' ' ALA . 7.2 p -158.21 116.16 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.377 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.471 ' O ' HD12 ' A' ' 25' ' ' LEU . 9.9 mt -65.64 119.59 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.638 HD22 ' CD2' ' A' ' 30' ' ' TYR . 1.5 mp -126.59 117.57 23.07 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 10.3 p-80 39.17 56.48 2.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.58 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.3 m80 57.34 52.1 9.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.589 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.454 ' HE2' HD11 ' A' ' 75' ' ' ILE . 2.4 mttt -170.08 105.02 0.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.352 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.78 HG23 HD11 ' A' ' 76' ' ' ILE . 5.9 m -67.21 142.01 17.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 0.0 109.261 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.638 ' CD2' HD22 ' A' ' 25' ' ' LEU . 4.6 m-30 -117.31 110.74 18.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 110.992 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.421 ' HB2' HD12 ' A' ' 76' ' ' ILE . 51.7 t0 -81.18 79.73 7.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 36' ' ' LEU . 0.7 OUTLIER -96.8 41.98 1.1 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 109.271 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.626 HG23 ' O ' ' A' ' 18' ' ' SER . 95.5 m -61.41 -46.03 91.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 0.0 110.394 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.13 -39.2 68.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.539 ' HB2' ' CZ ' ' A' ' 74' ' ' TYR . 90.0 t80 -90.12 16.18 8.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.959 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.844 HD23 HG21 ' A' ' 21' ' ' THR . 1.7 tm? -71.23 -49.89 38.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.63 -8.0 53.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.427 1.08 . . . . 0.0 110.293 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -86.03 -22.72 27.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 110.317 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.657 ' CE1' HD21 ' A' ' 46' ' ' LEU . 5.2 t-160 -49.87 125.53 17.88 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.615 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.57 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.5 Cg_endo -74.94 -31.44 6.31 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.43 1.753 . . . . 0.0 111.041 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.76 -67.57 1.99 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.493 1.121 . . . . 0.0 110.97 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.11 149.14 10.49 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.547 ' HA ' HD12 ' A' ' 46' ' ' LEU . 3.7 pt-20 -85.9 -34.78 20.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 0.75 . . . . 0.0 110.371 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.504 ' O ' ' N ' ' A' ' 48' ' ' GLU . 2.8 mm-40 -68.76 -54.04 18.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.407 ' C ' ' O ' ' A' ' 44' ' ' GLU . 0.2 OUTLIER -39.84 -29.68 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.592 1.182 . . . . 0.0 109.248 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.657 HD21 ' CE1' ' A' ' 39' ' ' HIS . 0.9 OUTLIER -85.9 -61.43 1.75 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.515 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -56.67 -56.74 17.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.314 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' A' ' 44' ' ' GLU . 4.2 tp10 -33.79 -45.44 0.19 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.546 1.154 . . . . 0.0 110.317 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.459 ' HG3' ' HB2' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -133.46 52.33 2.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 110.35 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.515 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -72.83 -89.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.458 ' CA ' ' HB ' ' A' ' 12' ' ' ILE . . . -41.49 -32.85 0.84 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.595 1.184 . . . . 0.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 51' ' ' GLY . . . -59.67 -139.88 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -131.42 110.13 10.81 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.484 0.755 . . . . 0.0 109.317 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.619 ' HB3' ' CG2' ' A' ' 23' ' ' VAL . . . -114.63 29.53 7.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 109.243 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.5 m -58.64 -60.34 3.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.401 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.415 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 2.5 mp0 -64.64 -40.49 95.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.296 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -65.54 -15.46 62.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.322 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.822 ' CD1' ' CE1' ' A' ' 63' ' ' HIS . 73.7 t80 -98.0 -40.75 8.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 111.041 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -79.99 -33.64 39.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 110.252 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.415 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 30.2 t70 -57.32 -45.52 84.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.665 HG22 ' O ' ' A' ' 58' ' ' PHE . 10.9 m -65.75 -18.64 24.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.42 1.075 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 63.12 83.07 0.08 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.822 ' CE1' ' CD1' ' A' ' 58' ' ' PHE . 35.7 m80 -70.74 138.91 50.92 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.44 0.729 . . . . 0.0 109.607 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.2 p -81.07 170.17 16.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.983 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -51.32 -42.81 61.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.118 . . . . 0.0 110.405 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -43.78 -40.64 4.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.357 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.3 -46.09 71.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.335 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -41.24 -48.35 3.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 110.319 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -61.97 -53.02 61.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 0.0 110.261 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.471 ' O ' ' C ' ' A' ' 71' ' ' SER . 2.4 mp -57.56 -67.18 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.596 1.185 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.608 ' HB3' ' CE2' ' A' ' 30' ' ' TYR . 26.1 m -33.12 -55.14 0.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 110.007 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.614 ' O ' HG22 ' A' ' 75' ' ' ILE . 0.1 OUTLIER -58.21 -52.65 64.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.587 1.179 . . . . 0.0 109.278 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.46 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.7 OUTLIER -57.17 -32.09 66.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.471 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.539 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 58.8 m-85 -100.04 42.04 1.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.975 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.614 HG22 ' O ' ' A' ' 72' ' ' LYS . 5.9 tt -116.46 140.26 39.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.425 1.078 . . . . 0.0 109.297 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.78 HD11 HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -123.13 -38.74 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.633 ' O ' HG22 ' A' ' 29' ' ' VAL . . . 172.64 -168.31 41.34 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.491 1.12 . . . . 0.0 110.991 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -114.58 170.11 8.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 0.768 . . . . 0.0 110.25 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.733 HD22 ' C ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -102.24 147.53 26.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.353 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.532 ' O ' HD22 ' A' ' 79' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.561 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.494 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 9.2 mmmm . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -101.0 105.92 17.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.989 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.494 ' CE1' ' HB3' ' A' ' 5' ' ' LYS . 10.5 m-85 -95.51 147.93 23.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.2 p -77.86 147.99 34.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.344 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.415 ' O ' HG12 ' A' ' 12' ' ' ILE . 0.9 OUTLIER -52.32 -19.83 2.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.54 -34.63 78.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.145 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.484 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -59.74 -72.33 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.248 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.465 HD13 ' H ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -37.05 -41.55 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -59.93 -76.4 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 110.25 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.601 ' HD2' ' CE1' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -51.19 -21.4 2.01 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.601 ' CE1' ' HD2' ' A' ' 14' ' ' LYS . 73.4 m-70 -97.6 44.83 1.04 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.596 1.185 . . . . 0.0 109.652 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.7 tttt -110.04 34.74 3.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.257 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -129.85 168.55 16.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.245 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.621 ' O ' HG23 ' A' ' 33' ' ' THR . 0.1 OUTLIER -55.78 -45.9 78.05 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 0.0 110.05 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.483 ' O ' HG21 ' A' ' 33' ' ' THR . 0.0 OUTLIER -45.13 -51.97 9.75 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 109.367 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 m -137.08 96.08 3.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.992 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.403 HG21 HD23 ' A' ' 36' ' ' LEU . 1.4 m -100.74 112.64 25.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 110.363 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.407 ' CZ3' ' CD2' ' A' ' 7' ' ' TYR . 13.0 m0 -117.62 161.01 20.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 108.017 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.7 ' CG2' ' HB3' ' A' ' 54' ' ' ALA . 7.3 p -158.15 123.71 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.548 1.155 . . . . 0.0 109.324 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.48 HD12 ' O ' ' A' ' 52' ' ' GLY . 9.1 mt -70.2 113.25 5.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.081 . . . . 0.0 109.234 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.587 HD22 ' CD2' ' A' ' 30' ' ' TYR . 1.0 OUTLIER -123.03 115.74 22.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.329 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 41.37 57.44 2.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.604 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 55.36 52.92 10.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.642 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.463 ' HG2' HD11 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -170.09 112.63 0.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.09 . . . . 0.0 109.327 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.75 HG23 HD11 ' A' ' 76' ' ' ILE . 8.0 m -71.41 139.7 19.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.85 ' CE1' HD13 ' A' ' 75' ' ' ILE . 4.3 m-30 -116.18 109.96 18.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 111.01 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -80.08 76.05 6.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.469 ' O ' ' N ' ' A' ' 36' ' ' LEU . 0.9 OUTLIER -90.99 37.87 0.94 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.152 . . . . 0.0 109.295 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.621 HG23 ' O ' ' A' ' 18' ' ' SER . 93.4 m -57.51 -52.65 64.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.525 1.14 . . . . 0.0 110.433 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.36 -36.02 76.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.554 ' HB2' ' CZ ' ' A' ' 74' ' ' TYR . 73.0 t80 -89.99 16.02 9.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.471 HD13 ' C ' ' A' ' 36' ' ' LEU . 2.1 tm? -74.96 -48.01 26.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.408 1.067 . . . . 0.0 109.255 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -90.12 -6.98 54.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 110.298 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.68 -25.86 23.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.623 ' CE1' HD21 ' A' ' 46' ' ' LEU . 5.2 t-160 -50.31 126.47 21.62 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.42 1.075 . . . . 0.0 109.599 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.573 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.3 Cg_endo -74.95 -29.19 8.58 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.527 1.804 . . . . 0.0 110.987 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.0 -68.3 1.71 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.475 1.109 . . . . 0.0 110.989 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.1 151.45 13.02 Favored Glycine 0 CA--C 1.529 0.92 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.43 ' HA ' HD12 ' A' ' 46' ' ' LEU . 3.4 pt-20 -88.41 -18.06 29.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.433 0.725 . . . . 0.0 110.305 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 48' ' ' GLU . 4.5 mm-40 -86.58 -54.38 4.43 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.501 1.125 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' A' ' 44' ' ' GLU . 0.2 OUTLIER -40.01 -29.16 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.623 HD21 ' CE1' ' A' ' 39' ' ' HIS . 1.4 mt -84.68 -63.95 1.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.259 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.619 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -55.1 -55.72 27.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.218 -179.909 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' A' ' 44' ' ' GLU . 4.9 tt0 -35.08 -44.01 0.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.222 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.47 ' HG3' ' HB2' ' A' ' 54' ' ' ALA . 5.3 pt20 -130.35 47.7 2.49 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 110.278 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.619 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -70.27 -93.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 52' ' ' GLY . . . -39.24 -32.06 0.21 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.564 1.165 . . . . 0.0 110.971 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.48 ' O ' HD12 ' A' ' 24' ' ' ILE . . . -59.85 -141.91 0.01 OUTLIER Glycine 0 CA--C 1.529 0.953 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.7 p-10 -129.08 112.45 14.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 0.734 . . . . 0.0 109.285 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.7 ' HB3' ' CG2' ' A' ' 23' ' ' VAL . . . -115.42 32.19 6.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 109.264 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.1 m -62.98 -63.59 1.16 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 110.355 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -63.7 -37.28 86.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.613 ' O ' HG13 ' A' ' 61' ' ' VAL . 2.5 m-80 -65.11 -22.4 66.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.61 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.5 OUTLIER -90.0 -40.0 12.6 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.571 1.169 . . . . 0.0 110.972 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -79.17 -35.46 41.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.13 . . . . 0.0 110.296 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -57.01 -44.88 83.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.613 HG13 ' O ' ' A' ' 57' ' ' ASN . 7.4 m -68.56 -17.95 22.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 61.55 83.83 0.06 OUTLIER Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.48 1.113 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.48 ' CE1' ' CG2' ' A' ' 61' ' ' VAL . 36.0 m80 -70.69 140.07 51.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 0.725 . . . . 0.0 109.564 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.07 169.86 17.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.022 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -51.43 -47.34 63.04 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.547 1.154 . . . . 0.0 110.43 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -41.05 -41.97 1.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.83 -47.3 69.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 65' ' ' THR . 1.0 OUTLIER -39.75 -43.61 1.44 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 110.322 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.79 -58.51 4.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.306 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.507 ' O ' ' N ' ' A' ' 73' ' ' THR . 0.2 OUTLIER -48.96 -63.93 0.95 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.259 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.586 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 2.6 p -39.93 -53.96 2.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.031 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.89 ' O ' HG22 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -61.72 -36.24 80.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.507 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -71.3 -31.09 67.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.441 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.554 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 40.1 m-85 -100.15 38.54 1.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 111.06 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.89 HG22 ' O ' ' A' ' 72' ' ' LYS . 9.8 tp -107.75 139.71 28.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.75 HD11 HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -125.15 -33.77 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.56 ' O ' HG22 ' A' ' 29' ' ' VAL . . . 165.56 -169.28 39.92 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.503 1.127 . . . . 0.0 110.963 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -115.08 168.52 9.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 0.737 . . . . 0.0 110.308 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.78 HD22 ' C ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -108.61 150.35 27.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.516 ' O ' HD22 ' A' ' 79' ' ' LEU . 4.0 t-160 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.548 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.455 ' HB3' ' CZ ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.254 -0.646 . . . . 0.0 109.254 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -100.23 109.07 21.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.135 . . . . 0.0 111.042 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.455 ' CZ ' ' HB3' ' A' ' 5' ' ' LYS . 29.4 m-85 -99.41 155.77 17.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 111.038 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.402 ' C ' ' N ' ' A' ' 10' ' ' GLU . 1.7 p -84.98 143.83 28.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.473 1.108 . . . . 0.0 110.41 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.412 ' O ' HG12 ' A' ' 12' ' ' ILE . 1.0 OUTLIER -49.14 -21.87 0.84 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.402 ' N ' ' C ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -63.77 -32.24 73.68 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.553 1.158 . . . . 0.0 110.295 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.508 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -61.78 -76.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 110.267 -179.908 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.508 ' C ' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -32.35 -42.51 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 0.0 109.289 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 11' ' ' GLU . 11.1 mm-40 -57.01 -74.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.282 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -51.61 -27.56 11.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.367 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.421 ' NE2' ' HG3' ' A' ' 11' ' ' GLU . 74.8 m-70 -93.26 46.78 1.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.63 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -110.0 28.59 8.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 109.284 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -126.1 169.76 12.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 0.0 109.336 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.576 ' O ' HG23 ' A' ' 33' ' ' THR . 3.5 m -54.7 -48.72 72.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.017 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.681 ' O ' HG21 ' A' ' 33' ' ' THR . 1.0 OUTLIER -42.16 -57.62 2.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.409 ' O ' ' O ' ' A' ' 15' ' ' HIS . 57.8 m -129.89 90.87 3.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.027 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.753 HG21 HD23 ' A' ' 36' ' ' LEU . 1.4 m -96.35 110.51 22.83 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.532 1.145 . . . . 0.0 110.422 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 15.6 m0 -117.78 160.05 22.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.137 . . . . 0.0 107.947 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.662 ' CG2' ' HB3' ' A' ' 54' ' ' ALA . 9.5 p -155.54 124.73 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.537 ' O ' HD12 ' A' ' 25' ' ' LEU . 20.6 mt -70.88 114.68 9.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.563 1.164 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.626 HD22 ' CD2' ' A' ' 30' ' ' TYR . 2.2 mp -126.75 133.76 50.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.429 ' C ' ' O ' ' A' ' 25' ' ' LEU . 45.2 m-70 37.72 38.25 0.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.58 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 38.9 m-70 70.13 51.51 0.4 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.62 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.555 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -170.12 132.09 1.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 109.307 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.777 HG23 HD11 ' A' ' 76' ' ' ILE . 16.4 m -76.35 142.88 13.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.626 ' CD2' HD22 ' A' ' 25' ' ' LEU . 2.4 m-30 -118.39 105.68 11.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 111.05 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -75.6 82.39 2.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 36' ' ' LEU . 0.9 OUTLIER -102.04 35.39 2.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.681 HG21 ' O ' ' A' ' 19' ' ' LYS . 6.7 m -58.1 -44.23 87.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 110.325 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.1 ttmm -72.07 -41.15 67.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.52 ' HB2' ' CZ ' ' A' ' 74' ' ' TYR . 90.9 t80 -89.6 16.9 7.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 111.093 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.753 HD23 HG21 ' A' ' 21' ' ' THR . 2.1 tm? -72.45 -48.04 44.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -89.77 -8.11 52.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.573 1.171 . . . . 0.0 110.277 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.34 -22.99 24.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.426 1.079 . . . . 0.0 110.315 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.715 ' CE1' HD21 ' A' ' 46' ' ' LEU . 5.2 t-160 -49.93 126.22 19.11 Favored Pre-proline 0 C--N 1.326 -0.421 0 O-C-N 124.478 1.111 . . . . 0.0 109.589 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.584 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.0 Cg_endo -75.09 -29.75 7.76 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.493 1.786 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.15 -67.85 1.88 Allowed Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.566 1.166 . . . . 0.0 111.028 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.0 148.36 9.97 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.461 ' HA ' HD12 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -86.91 -17.6 32.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 0.772 . . . . 0.0 110.268 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 48' ' ' GLU . 0.3 OUTLIER -86.69 -54.41 4.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.426 1.079 . . . . 0.0 110.255 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.418 ' H ' HG12 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -39.93 -29.17 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 109.254 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.715 HD21 ' CE1' ' A' ' 39' ' ' HIS . 1.2 mt -83.68 -60.64 2.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.573 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 22.3 mtm180 -58.32 -57.27 13.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.439 1.087 . . . . 0.0 110.309 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 44' ' ' GLU . 4.9 tt0 -33.65 -44.99 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.333 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.448 ' HG3' ' HB2' ' A' ' 54' ' ' ALA . 3.3 pt20 -131.21 50.72 2.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.312 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.573 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -73.01 -88.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -43.83 -31.16 1.81 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.542 1.151 . . . . 0.0 111.006 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.471 ' O ' HD12 ' A' ' 24' ' ' ILE . . . -60.37 -137.95 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -132.73 110.02 10.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 0.778 . . . . 0.0 109.235 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.662 ' HB3' ' CG2' ' A' ' 23' ' ' VAL . . . -111.59 17.83 19.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.321 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.6 m -50.21 -60.8 2.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.375 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -66.27 -41.49 89.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.308 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.412 ' O ' HG13 ' A' ' 61' ' ' VAL . 2.0 m120 -65.42 -13.49 58.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.804 ' CD1' ' CE1' ' A' ' 63' ' ' HIS . 75.4 t80 -99.56 -40.01 8.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 111.044 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -81.49 -30.77 33.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.417 ' N ' ' HG3' ' A' ' 59' ' ' GLU . 30.3 t0 -61.09 -43.49 98.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.62 HG22 ' O ' ' A' ' 58' ' ' PHE . 7.1 m -67.81 -15.93 20.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 60.0 84.5 0.05 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.426 1.079 . . . . 0.0 111.034 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.804 ' CE1' ' CD1' ' A' ' 58' ' ' PHE . 35.7 m80 -71.58 140.07 49.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 0.775 . . . . 0.0 109.581 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 13.1 m -80.69 169.94 16.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.933 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -50.98 -47.25 61.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.403 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.34 -39.82 1.53 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.333 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.69 -47.28 66.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.611 1.194 . . . . 0.0 109.327 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 65' ' ' THR . 0.3 OUTLIER -42.29 -45.39 4.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.81 -51.49 61.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.477 ' O ' ' C ' ' A' ' 71' ' ' SER . 1.2 mp -58.77 -67.91 0.32 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.336 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.588 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 4.0 p -32.01 -57.8 0.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.974 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.812 ' O ' HG22 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -55.99 -52.99 62.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.329 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.47 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -57.62 -30.85 65.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 110.369 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.52 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 46.7 m-85 -99.95 39.9 1.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.986 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.812 HG22 ' O ' ' A' ' 72' ' ' LYS . 8.6 tt -117.06 140.65 38.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.777 HD11 HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -122.51 -38.55 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.556 1.16 . . . . 0.0 109.335 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.588 ' O ' HG22 ' A' ' 29' ' ' VAL . . . 174.36 -172.88 45.73 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.444 1.09 . . . . 0.0 111.001 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.417 ' HA ' ' HA ' ' A' ' 28' ' ' LYS . 0.7 OUTLIER -114.04 169.68 8.83 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.513 0.772 . . . . 0.0 110.369 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.666 HD22 ' C ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -103.78 153.25 20.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.612 ' O ' HD22 ' A' ' 79' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 109.577 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.592 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -100.96 102.1 13.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 111.005 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.592 ' CE1' ' HB3' ' A' ' 5' ' ' LYS . 17.5 m-85 -91.58 147.19 23.19 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 111.039 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.425 ' C ' ' N ' ' A' ' 10' ' ' GLU . 2.2 p -75.46 149.13 38.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 0.0 110.408 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.543 ' HA ' HD11 ' A' ' 12' ' ' ILE . 0.5 OUTLIER -54.07 -16.18 1.84 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.463 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -71.15 -42.56 69.0 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.483 1.115 . . . . 0.0 110.313 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.543 ' O ' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -48.21 -69.26 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 110.352 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.543 HD11 ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -34.98 -54.77 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.434 ' HB2' ' O ' ' A' ' 10' ' ' GLU . 26.3 mm-40 -49.11 -46.78 45.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 110.349 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.543 ' N ' ' O ' ' A' ' 11' ' ' GLU . 37.7 mmtt -60.62 -31.53 70.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.403 ' NE2' ' CG ' ' A' ' 11' ' ' GLU . 2.6 m-70 -94.36 59.61 2.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.099 . . . . 0.0 109.577 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -110.07 24.87 12.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.522 1.139 . . . . 0.0 109.35 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -135.09 168.27 19.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.777 ' O ' HG23 ' A' ' 33' ' ' THR . 2.9 t -56.94 -48.19 78.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.573 1.171 . . . . 0.0 110.004 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.556 ' O ' HG21 ' A' ' 33' ' ' THR . 0.3 OUTLIER -44.32 -44.68 8.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.8 p -139.08 98.76 3.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 110.052 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.64 HG21 HD23 ' A' ' 36' ' ' LEU . 2.4 m -109.7 112.69 24.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 110.381 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.418 ' O ' ' C ' ' A' ' 50' ' ' ALA . 9.1 m0 -119.33 157.68 27.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 0.0 108.0 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.525 ' CG2' ' HB3' ' A' ' 54' ' ' ALA . 13.7 p -154.53 120.75 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.367 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.477 HG13 HG21 ' A' ' 12' ' ' ILE . 23.4 mt -69.53 106.23 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.591 HD23 ' CE2' ' A' ' 30' ' ' TYR . 0.5 OUTLIER -115.88 120.59 39.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.571 ' O ' ' CG ' ' A' ' 27' ' ' HIS . 0.0 OUTLIER 40.1 60.62 1.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.611 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.571 ' CG ' ' O ' ' A' ' 26' ' ' HIS . 12.8 p80 50.65 48.41 22.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.585 1.178 . . . . 0.0 109.653 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' A' ' 27' ' ' HIS . 0.9 OUTLIER -166.01 107.74 0.74 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.421 1.076 . . . . 0.0 109.279 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.762 HG23 HD11 ' A' ' 76' ' ' ILE . 4.8 m -64.85 143.0 16.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.591 ' CE2' HD23 ' A' ' 25' ' ' LEU . 3.2 m-30 -117.72 110.93 18.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.408 ' HA ' ' CD1' ' A' ' 22' ' ' TRP . 17.6 t0 -77.73 78.58 4.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 109.244 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -98.24 46.59 1.0 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.777 HG23 ' O ' ' A' ' 18' ' ' SER . 97.6 m -67.93 -49.9 59.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.568 1.167 . . . . 0.0 110.392 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.56 -35.74 73.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.565 ' HB2' ' CZ ' ' A' ' 74' ' ' TYR . 80.7 t80 -89.96 18.54 5.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 111.039 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.652 HD13 ' C ' ' A' ' 36' ' ' LEU . 1.7 tm? -77.2 -46.7 22.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -89.94 -7.44 54.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.26 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -88.56 -25.48 22.48 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.689 ' CE1' HD21 ' A' ' 46' ' ' LEU . 5.1 t-160 -50.07 123.04 15.35 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.575 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.432 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.5 Cg_endo -74.99 -31.72 5.99 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.533 1.807 . . . . 0.0 111.007 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.17 -64.52 3.84 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.466 1.104 . . . . 0.0 111.015 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.06 149.1 10.47 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.433 ' HA ' HD12 ' A' ' 46' ' ' LEU . 3.0 pt-20 -91.14 -19.24 23.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.415 0.715 . . . . 0.0 110.262 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 48' ' ' GLU . 2.2 tt0 -86.15 -53.88 4.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.445 ' H ' HG12 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -39.87 -29.32 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.689 HD21 ' CE1' ' A' ' 39' ' ' HIS . 1.6 mt -82.55 -58.05 3.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 109.264 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.611 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 5.9 mtt180 -60.63 -55.56 31.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.299 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 44' ' ' GLU . 13.2 tt0 -33.8 -46.07 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.252 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -131.31 47.75 2.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.334 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.611 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -67.99 -91.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.434 ' CA ' ' HB ' ' A' ' 12' ' ' ILE . . . -41.17 -31.18 0.5 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.398 1.061 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 51' ' ' GLY . . . -60.13 -137.48 0.01 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.598 0.822 . . . . 0.0 111.049 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.9 p-10 -135.76 113.25 10.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 0.76 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.525 ' HB3' ' CG2' ' A' ' 23' ' ' VAL . . . -112.75 26.23 10.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.42 1.075 . . . . 0.0 109.351 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.443 ' O ' ' HB3' ' A' ' 58' ' ' PHE . 16.9 m -50.15 -71.54 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 110.389 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.458 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 1.6 mm-40 -58.72 -43.58 90.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.27 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.612 ' O ' HG13 ' A' ' 61' ' ' VAL . 1.5 m-80 -55.92 -22.53 26.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.665 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.2 OUTLIER -93.45 -39.74 10.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -76.05 -35.2 59.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.364 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.458 ' HB2' ' O ' ' A' ' 56' ' ' GLU . 7.6 t0 -59.55 -44.17 93.33 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.471 1.107 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.665 HG22 ' O ' ' A' ' 58' ' ' PHE . 5.2 m -69.52 -16.0 20.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.474 1.109 . . . . 0.0 109.214 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 56.49 85.71 0.03 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.458 1.099 . . . . 0.0 111.02 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.49 ' CE1' ' CG2' ' A' ' 61' ' ' VAL . 32.2 m80 -69.92 139.68 52.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 0.783 . . . . 0.0 109.585 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 p -80.19 170.02 17.0 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.531 1.144 . . . . 0.0 109.962 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -52.16 -44.81 64.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.4 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.93 -41.21 3.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.621 1.2 . . . . 0.0 109.334 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.42 -44.36 78.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 65' ' ' THR . 0.0 OUTLIER -42.81 -42.95 3.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.272 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -68.22 -55.02 13.74 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.445 1.091 . . . . 0.0 110.314 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.462 ' O ' ' C ' ' A' ' 71' ' ' SER . 0.9 OUTLIER -54.24 -66.09 0.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.585 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 6.7 p -33.91 -56.34 0.47 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.1 . . . . 0.0 109.955 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.507 ' O ' HG22 ' A' ' 75' ' ' ILE . 2.2 mtmm -57.31 -51.51 69.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.234 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.7 OUTLIER -58.02 -32.02 67.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.424 1.078 . . . . 0.0 110.388 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.565 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 48.6 m-85 -100.12 41.02 1.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.507 HG22 ' O ' ' A' ' 72' ' ' LYS . 4.4 tt -116.13 140.08 39.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.762 HD11 HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -123.94 -38.24 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.276 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.536 ' O ' HG22 ' A' ' 29' ' ' VAL . . . 171.35 -169.4 42.46 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.53 1.144 . . . . 0.0 111.029 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -114.86 170.13 8.56 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.48 0.753 . . . . 0.0 110.343 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.737 HD22 ' C ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -102.79 149.34 24.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.338 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.619 ' O ' HD22 ' A' ' 79' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.551 1.157 . . . . 0.0 109.561 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.245 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -101.17 113.68 26.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 110.959 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.519 ' CZ ' ' HB3' ' A' ' 5' ' ' LYS . 20.6 m-85 -104.72 149.7 25.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 111.043 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.2 p -77.27 151.33 35.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 110.424 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.485 ' HA ' HD11 ' A' ' 12' ' ' ILE . 0.7 OUTLIER -57.34 -16.0 7.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.449 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -70.47 -42.84 70.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.483 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.1 OUTLIER -49.62 -70.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.485 HD11 ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -33.13 -57.86 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.579 1.174 . . . . 0.0 109.26 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.419 ' HB2' ' O ' ' A' ' 10' ' ' GLU . 5.8 mm100 -44.1 -52.47 7.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 11' ' ' GLU . 59.8 mmtt -56.39 -43.35 79.2 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.218 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.474 ' NE2' ' CG ' ' A' ' 11' ' ' GLU . 2.4 m-70 -78.57 56.55 1.83 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.553 1.158 . . . . 0.0 109.61 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -109.99 23.93 13.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -136.66 170.05 16.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.657 ' O ' HG23 ' A' ' 33' ' ' THR . 45.1 m -56.89 -48.64 77.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.003 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.561 ' O ' HG21 ' A' ' 33' ' ' THR . 3.8 mttt -41.68 -47.78 4.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.436 ' O ' ' CA ' ' A' ' 15' ' ' HIS . 23.8 m -139.97 100.77 4.01 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.47 1.106 . . . . 0.0 109.972 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.697 HG21 HD23 ' A' ' 36' ' ' LEU . 1.6 m -109.36 112.38 24.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.427 1.079 . . . . 0.0 110.423 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.433 ' O ' ' C ' ' A' ' 50' ' ' ALA . 12.6 m0 -117.81 159.6 22.77 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.507 HG22 HD13 ' A' ' 25' ' ' LEU . 5.4 p -160.07 120.13 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 109.212 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.634 ' O ' HD12 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -63.99 123.23 16.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.547 1.154 . . . . 0.0 109.33 179.937 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.634 HD12 ' O ' ' A' ' 24' ' ' ILE . 1.8 mp -135.06 114.65 12.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.386 1.054 . . . . 0.0 109.338 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.529 ' CE1' ' CE1' ' A' ' 58' ' ' PHE . 0.1 OUTLIER 42.81 51.9 5.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.614 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 59.2 m80 56.51 53.23 8.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.564 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.546 ' HE3' HD11 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -170.09 97.7 0.28 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.796 HG23 HD11 ' A' ' 76' ' ' ILE . 6.9 m -57.17 140.96 14.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 109.243 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.611 ' CD2' HD22 ' A' ' 25' ' ' LEU . 4.5 m-30 -116.48 106.47 13.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.117 . . . . 0.0 111.042 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -77.31 76.0 3.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 109.322 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' ' 36' ' ' LEU . 0.8 OUTLIER -91.34 41.64 1.07 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.153 . . . . 0.0 109.33 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.657 HG23 ' O ' ' A' ' 18' ' ' SER . 10.4 m -61.54 -49.57 76.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.404 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.6 ttmm -69.16 -39.44 78.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 0.0 109.302 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.54 ' HB2' ' CZ ' ' A' ' 74' ' ' TYR . 90.0 t80 -90.13 17.09 7.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 110.974 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.697 HD23 HG21 ' A' ' 21' ' ' THR . 1.7 tm? -71.34 -49.91 37.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -89.19 -9.01 52.47 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.505 1.128 . . . . 0.0 110.28 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.26 -23.83 30.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.331 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.722 ' CE1' HD21 ' A' ' 46' ' ' LEU . 4.7 t-160 -50.0 126.58 19.98 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.52 1.137 . . . . 0.0 109.661 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.582 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.2 Cg_endo -74.99 -29.91 7.74 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.503 1.791 . . . . 0.0 111.034 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.62 -68.24 1.73 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.51 1.131 . . . . 0.0 111.015 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.06 150.21 11.5 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.507 ' HA ' HD12 ' A' ' 46' ' ' LEU . 1.6 pt-20 -86.86 -23.42 25.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 0.776 . . . . 0.0 110.275 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 48' ' ' GLU . 1.3 tp10 -80.37 -54.36 5.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.294 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' A' ' 44' ' ' GLU . 0.2 OUTLIER -39.9 -29.57 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.157 . . . . 0.0 109.319 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.722 HD21 ' CE1' ' A' ' 39' ' ' HIS . 1.1 mt -84.04 -60.19 2.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.61 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 56.7 mtm180 -57.17 -57.16 13.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 110.257 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 44' ' ' GLU . 0.4 OUTLIER -33.91 -44.9 0.18 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.562 1.164 . . . . 0.0 110.314 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.627 ' HG3' ' HB2' ' A' ' 54' ' ' ALA . 0.5 OUTLIER -128.7 49.04 2.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.303 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.61 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -71.72 -94.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.454 ' O ' ' O ' ' A' ' 52' ' ' GLY . . . -34.85 -36.56 0.08 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.522 1.139 . . . . 0.0 111.055 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.454 ' O ' ' O ' ' A' ' 51' ' ' GLY . . . -58.3 -140.98 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.511 ' HA ' HG22 ' A' ' 24' ' ' ILE . 26.1 p-10 -138.1 113.33 9.34 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.478 0.752 . . . . 0.0 109.237 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.627 ' HB2' ' HG3' ' A' ' 49' ' ' GLN . . . -110.72 27.18 9.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.5 m -51.72 -61.49 2.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 110.377 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -63.36 -44.08 95.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 110.281 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.61 ' O ' HG13 ' A' ' 61' ' ' VAL . 2.4 m-80 -60.02 -21.05 60.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.65 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.3 OUTLIER -90.77 -39.94 12.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 111.055 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -77.28 -36.63 54.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.223 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -56.7 -44.57 81.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.65 HG22 ' O ' ' A' ' 58' ' ' PHE . 5.9 m -69.2 -16.11 20.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 58.4 85.13 0.04 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.567 1.167 . . . . 0.0 111.0 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.475 ' CE1' ' CG2' ' A' ' 61' ' ' VAL . 30.0 m80 -69.99 139.45 52.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 0.779 . . . . 0.0 109.623 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -80.82 169.93 16.94 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.426 1.079 . . . . 0.0 109.981 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -50.77 -47.49 59.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.329 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 65' ' ' THR . 0.2 OUTLIER -40.54 -42.14 1.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.35 -47.81 72.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.352 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 65' ' ' THR . 18.3 ttt180 -40.45 -47.44 2.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -63.7 -53.44 51.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.379 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.49 ' O ' ' C ' ' A' ' 71' ' ' SER . 2.3 mp -55.89 -67.61 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.603 ' HB3' ' CE2' ' A' ' 30' ' ' TYR . 46.8 m -31.59 -58.69 0.26 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 110.011 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.631 ' O ' HG22 ' A' ' 75' ' ' ILE . 0.1 OUTLIER -54.94 -53.69 52.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.582 1.176 . . . . 0.0 109.252 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.467 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.7 OUTLIER -56.62 -32.27 65.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.6 1.188 . . . . 0.0 110.386 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.54 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 56.1 m-85 -99.81 42.04 1.13 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.631 HG22 ' O ' ' A' ' 72' ' ' LYS . 6.2 tt -117.85 140.51 40.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.363 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.796 HD11 HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -124.11 -39.12 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.899 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.666 ' O ' HG22 ' A' ' 29' ' ' VAL . . . 174.03 -171.37 44.47 Favored Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.475 1.11 . . . . 0.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -112.04 170.04 8.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 0.787 . . . . 0.0 110.314 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 1.048 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -107.11 152.9 23.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.27 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.752 ' N ' HD22 ' A' ' 79' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.542 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.56 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -99.86 105.97 17.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.56 ' CE1' ' HB3' ' A' ' 5' ' ' LYS . 17.8 m-85 -94.44 150.2 20.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.123 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.8 p -77.42 148.63 35.37 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.132 . . . . 0.0 110.386 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.404 ' O ' HG12 ' A' ' 12' ' ' ILE . 0.4 OUTLIER -54.16 -18.92 4.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 109.362 179.91 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.415 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 1.0 OUTLIER -71.89 -39.14 69.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.337 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.492 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -48.73 -71.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.573 1.171 . . . . 0.0 110.252 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.492 ' C ' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -33.41 -57.86 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.357 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -43.15 -52.91 5.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 110.333 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 11' ' ' GLU . 25.3 mmtt -52.97 -36.42 60.14 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.446 ' N ' ' O ' ' A' ' 12' ' ' ILE . 3.2 m-70 -91.77 59.45 3.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.632 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -109.27 14.88 23.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.34 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -122.2 169.9 10.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.698 ' O ' HG23 ' A' ' 33' ' ' THR . 0.3 OUTLIER -60.12 -44.12 95.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.988 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.706 ' O ' HG21 ' A' ' 33' ' ' THR . 0.0 OUTLIER -49.42 -42.43 42.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.426 1.079 . . . . 0.0 109.305 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 15' ' ' HIS . 27.6 m -137.74 97.03 3.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 110.074 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.74 HG21 HD23 ' A' ' 36' ' ' LEU . 1.5 m -109.12 114.14 27.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.389 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.457 ' CD1' ' HA ' ' A' ' 31' ' ' ASP . 8.4 m0 -119.19 160.82 21.43 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.604 1.19 . . . . 0.0 107.969 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.69 ' CG2' ' HB3' ' A' ' 54' ' ' ALA . 7.2 p -159.93 117.91 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.239 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.543 ' O ' HD12 ' A' ' 25' ' ' LEU . 15.6 mt -67.09 120.61 14.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.63 HD22 ' CD2' ' A' ' 30' ' ' TYR . 1.4 mp -128.82 123.3 32.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.571 ' CE1' ' HB3' ' A' ' 25' ' ' LEU . 0.1 OUTLIER 37.98 54.34 1.62 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.599 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 78.2 m-70 57.6 51.25 9.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.62 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.414 ' HG2' HD11 ' A' ' 75' ' ' ILE . 0.2 OUTLIER -169.97 110.2 0.41 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.86 HG23 HD11 ' A' ' 76' ' ' ILE . 9.1 m -68.06 142.14 16.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.369 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.63 ' CD2' HD22 ' A' ' 25' ' ' LEU . 4.7 m-30 -116.72 104.62 11.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 110.965 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.498 ' CG ' ' CG2' ' A' ' 76' ' ' ILE . 18.1 p-10 -72.92 76.38 1.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.507 HD11 HD13 ' A' ' 46' ' ' LEU . 0.5 OUTLIER -94.74 43.17 1.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.346 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.706 HG21 ' O ' ' A' ' 19' ' ' LYS . 77.5 m -65.93 -46.36 78.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.485 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -69.33 -42.44 75.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 109.256 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.543 ' HB2' ' CZ ' ' A' ' 74' ' ' TYR . 93.4 t80 -89.92 23.08 2.89 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.464 1.103 . . . . 0.0 111.077 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.74 HD23 HG21 ' A' ' 21' ' ' THR . 1.1 tm? -74.69 -47.95 28.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.418 ' N ' HD13 ' A' ' 36' ' ' LEU . 6.0 mt-10 -90.07 -9.44 48.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 0.0 110.348 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.455 ' HB3' ' CD1' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -84.18 -23.29 30.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.319 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.707 ' CE1' HD21 ' A' ' 46' ' ' LEU . 5.3 t-160 -50.33 125.94 20.8 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.632 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.579 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.2 Cg_endo -75.07 -29.35 8.21 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.489 1.784 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.9 -67.01 2.16 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.483 1.114 . . . . 0.0 110.994 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.1 149.47 10.8 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.465 ' HA ' HD12 ' A' ' 46' ' ' LEU . 2.3 pt-20 -87.97 -19.74 26.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 0.0 110.297 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.526 ' O ' ' N ' ' A' ' 48' ' ' GLU . 3.1 mm-40 -84.13 -54.01 5.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 110.271 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 44' ' ' GLU . 0.2 OUTLIER -40.19 -28.48 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.707 HD21 ' CE1' ' A' ' 39' ' ' HIS . 0.8 OUTLIER -85.74 -60.14 2.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.6 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -59.41 -57.04 14.74 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.506 1.129 . . . . 0.0 110.27 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.526 ' N ' ' O ' ' A' ' 44' ' ' GLU . 3.6 tt0 -33.91 -45.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.36 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -131.47 48.22 2.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.432 1.082 . . . . 0.0 110.241 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.6 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -69.41 -94.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.232 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.458 ' CA ' ' HB ' ' A' ' 12' ' ' ILE . . . -36.67 -32.64 0.06 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.537 1.148 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 50' ' ' ALA . . . -60.09 -140.49 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -131.28 114.7 15.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 0.744 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.69 ' HB3' ' CG2' ' A' ' 23' ' ' VAL . . . -115.48 22.55 13.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.38 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.8 m -52.37 -61.37 2.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.418 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -64.75 -41.03 96.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.098 . . . . 0.0 110.278 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.546 ' O ' HG13 ' A' ' 61' ' ' VAL . 2.0 m120 -63.52 -16.96 62.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.624 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.3 OUTLIER -95.5 -40.16 9.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -78.73 -35.44 44.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.254 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -58.54 -43.5 89.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.624 HG22 ' O ' ' A' ' 58' ' ' PHE . 5.9 m -69.54 -17.1 21.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 59.28 85.22 0.04 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.578 1.174 . . . . 0.0 111.04 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.472 ' CE1' ' CG2' ' A' ' 61' ' ' VAL . 31.6 m80 -70.46 139.98 51.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 0.775 . . . . 0.0 109.575 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.29 169.99 17.01 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.528 1.143 . . . . 0.0 110.029 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.423 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -51.88 -46.11 64.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 110.373 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -42.05 -39.6 1.99 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 109.257 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.86 -47.42 65.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 65' ' ' THR . 2.1 tpp180 -40.31 -41.88 1.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 110.273 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -69.84 -56.74 6.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.319 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.462 ' O ' ' C ' ' A' ' 71' ' ' SER . 1.1 mp -52.43 -65.56 0.54 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.122 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.605 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 8.5 p -34.15 -56.91 0.49 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 109.945 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.56 ' O ' HG22 ' A' ' 75' ' ' ILE . 1.9 ttmt -56.33 -51.44 68.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.362 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -58.67 -31.98 68.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.379 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.543 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 47.9 m-85 -100.17 42.36 1.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 111.015 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.56 HG22 ' O ' ' A' ' 72' ' ' LYS . 5.0 tt -116.44 139.93 40.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.86 HD11 HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -122.61 -36.38 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.508 1.13 . . . . 0.0 109.34 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.407 ' N ' HG12 ' A' ' 76' ' ' ILE . . . 172.08 -166.05 38.83 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.395 1.059 . . . . 0.0 110.986 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 5' ' ' LYS . 3.0 pt-20 -119.15 168.38 10.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 0.76 . . . . 0.0 110.322 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.62 HD22 ' C ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -101.58 154.15 19.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.345 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.47 ' O ' HD22 ' A' ' 79' ' ' LEU . 3.6 t-160 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.563 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -99.47 109.06 21.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 111.034 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -94.27 151.36 19.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.545 1.153 . . . . 0.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.7 p -80.68 145.88 31.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -52.31 -21.01 3.08 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.421 1.076 . . . . 0.0 109.333 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.46 -33.88 76.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 110.333 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.501 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -59.89 -77.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 110.304 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.501 ' C ' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -32.91 -42.34 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 109.279 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.421 ' O ' ' HB2' ' A' ' 16' ' ' LYS . 2.9 mm100 -56.69 -60.2 3.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.3 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 11' ' ' GLU . 1.1 ptpm? -66.27 -10.85 46.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 75.3 m-70 -104.24 47.87 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.611 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.475 ' HG2' ' HB3' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -110.12 16.98 21.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.76 168.82 9.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.276 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.65 ' O ' HG23 ' A' ' 33' ' ' THR . 0.1 OUTLIER -61.09 -44.67 97.01 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.52 1.137 . . . . 0.0 109.985 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.601 ' O ' HG21 ' A' ' 33' ' ' THR . 12.6 mttt -43.25 -49.54 6.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.0 m -139.71 96.57 3.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.998 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.732 HG21 HD23 ' A' ' 36' ' ' LEU . 1.8 m -99.8 112.64 24.88 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.597 1.186 . . . . 0.0 110.374 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.4 ' O ' ' C ' ' A' ' 50' ' ' ALA . 13.8 m0 -117.34 157.99 25.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 107.981 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.602 ' CG2' ' HB3' ' A' ' 54' ' ' ALA . 7.2 p -156.78 123.14 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 24.1 mt -69.27 112.34 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.579 HD23 ' CE2' ' A' ' 30' ' ' TYR . 1.0 OUTLIER -123.6 133.21 53.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.516 ' CE1' ' HB3' ' A' ' 25' ' ' LEU . 0.0 OUTLIER 36.46 40.6 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.609 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.419 ' HB2' ' O ' ' A' ' 26' ' ' HIS . 32.9 m-70 68.36 51.59 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.654 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 25' ' ' LEU . 4.2 ptmt -170.19 126.48 0.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.828 HG23 HD11 ' A' ' 76' ' ' ILE . 16.8 m -73.39 141.96 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.365 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.609 ' CE2' ' HB3' ' A' ' 71' ' ' SER . 3.1 m-30 -117.73 104.89 11.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 0.0 111.022 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -74.16 77.14 1.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.236 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.483 HD12 ' HA ' ' A' ' 36' ' ' LEU . 0.8 OUTLIER -94.6 37.74 1.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.273 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.65 HG23 ' O ' ' A' ' 18' ' ' SER . 59.3 m -58.99 -53.21 61.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 110.434 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.06 -38.42 85.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.563 ' HB2' ' CZ ' ' A' ' 74' ' ' TYR . 74.0 t80 -89.98 17.09 7.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.113 . . . . 0.0 111.014 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.732 HD23 HG21 ' A' ' 21' ' ' THR . 2.2 tm? -72.53 -46.72 53.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.257 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.71 -9.83 47.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.26 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -84.15 -21.34 31.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 0.0 110.272 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.863 ' CE1' HD21 ' A' ' 46' ' ' LEU . 5.3 t-160 -49.97 124.76 17.25 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.397 1.061 . . . . 0.0 109.58 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.552 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.2 Cg_endo -75.04 -30.61 6.92 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.544 1.813 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.63 -65.99 2.58 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.578 1.174 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -173.98 147.81 9.6 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.423 ' HA ' HD12 ' A' ' 46' ' ' LEU . 22.0 pt-20 -86.5 -11.35 51.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 0.775 . . . . 0.0 110.308 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.483 ' O ' ' N ' ' A' ' 48' ' ' GLU . 14.1 tt0 -93.4 -53.06 4.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.593 1.183 . . . . 0.0 110.332 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 44' ' ' GLU . 0.2 OUTLIER -39.99 -28.99 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.863 HD21 ' CE1' ' A' ' 39' ' ' HIS . 0.6 OUTLIER -82.94 -61.48 1.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.626 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 30.5 mtm180 -56.49 -54.82 41.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.299 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 44' ' ' GLU . 18.9 tp10 -34.5 -45.23 0.23 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.093 . . . . 0.0 110.351 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -131.76 46.93 2.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 110.342 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.626 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -67.07 -91.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.485 1.115 . . . . 0.0 109.346 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 52' ' ' GLY . . . -41.95 -32.22 0.95 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 51' ' ' GLY . . . -59.6 -142.39 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -128.68 111.24 12.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 0.768 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.602 ' HB3' ' CG2' ' A' ' 23' ' ' VAL . . . -112.84 25.7 11.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.0 m -52.69 -68.86 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.381 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -61.35 -38.95 88.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.519 ' O ' HG13 ' A' ' 61' ' ' VAL . 2.2 m120 -62.48 -19.33 63.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.654 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.8 OUTLIER -96.12 -39.97 9.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 111.065 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -78.15 -34.56 49.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.538 1.149 . . . . 0.0 110.278 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -59.11 -43.29 91.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.654 HG22 ' O ' ' A' ' 58' ' ' PHE . 6.0 m -69.73 -16.15 20.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 58.01 85.28 0.03 OUTLIER Glycine 0 CA--C 1.532 1.113 0 O-C-N 124.454 1.097 . . . . 0.0 110.933 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.488 ' CE1' ' CG2' ' A' ' 61' ' ' VAL . 31.4 m80 -69.97 139.99 52.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 0.785 . . . . 0.0 109.6 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.5 m -80.08 170.07 16.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.031 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -51.86 -45.67 64.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.406 -179.938 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -41.88 -41.23 2.36 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.478 1.111 . . . . 0.0 109.339 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.69 -45.73 74.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 65' ' ' THR . 0.0 OUTLIER -40.96 -45.8 2.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.326 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -65.61 -55.27 18.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 110.35 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.509 HD23 ' CE1' ' A' ' 35' ' ' TYR . 0.6 OUTLIER -54.88 -67.22 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.237 -179.93 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.609 ' HB3' ' CE2' ' A' ' 30' ' ' TYR . 56.8 m -30.14 -59.2 0.18 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.536 1.147 . . . . 0.0 109.965 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.11 -57.02 14.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 0.0 109.293 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.7 OUTLIER -51.89 -31.99 30.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 110.457 179.898 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.563 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 50.6 m-85 -100.1 38.15 1.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 111.035 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.629 HD13 ' H ' ' A' ' 76' ' ' ILE . 0.4 OUTLIER -115.12 139.77 39.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.628 1.205 . . . . 0.0 109.248 -179.897 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.828 HD11 HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -122.25 -38.09 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.476 ' N ' HG12 ' A' ' 76' ' ' ILE . . . 177.41 -157.66 22.5 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.499 1.124 . . . . 0.0 111.039 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.443 ' HA ' ' HA ' ' A' ' 28' ' ' LYS . 1.9 pt-20 -126.61 168.43 14.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.777 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 1.068 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -104.8 146.04 29.53 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.565 1.165 . . . . 0.0 109.362 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.614 ' N ' HD22 ' A' ' 79' ' ' LEU . 4.3 t-160 . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 0.0 109.613 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.486 ' HB3' ' CZ ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -101.0 101.44 12.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 111.026 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.486 ' CZ ' ' HB3' ' A' ' 5' ' ' LYS . 23.2 m-85 -89.72 146.21 24.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.597 1.186 . . . . 0.0 110.978 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.2 p -69.85 151.18 46.01 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.501 1.126 . . . . 0.0 110.439 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.537 ' HA ' HD11 ' A' ' 12' ' ' ILE . 0.5 OUTLIER -57.72 -14.73 6.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.572 1.17 . . . . 0.0 109.338 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.428 ' O ' ' HB2' ' A' ' 13' ' ' GLN . 3.0 tt0 -72.39 -42.42 65.21 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.573 1.171 . . . . 0.0 110.275 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.486 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -48.58 -69.62 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.249 -179.928 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.537 HD11 ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -33.81 -53.09 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.362 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.428 ' HB2' ' O ' ' A' ' 10' ' ' GLU . 15.8 mm-40 -52.24 -53.67 40.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 11' ' ' GLU . 69.5 mmtt -52.21 -36.34 51.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.471 ' NE2' ' CG ' ' A' ' 11' ' ' GLU . 2.6 m-70 -87.32 58.35 4.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 109.548 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.99 31.67 5.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 109.331 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -143.44 161.51 38.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.342 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.742 ' O ' HG23 ' A' ' 33' ' ' THR . 5.1 m -50.14 -48.95 53.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 110.007 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.611 ' O ' HG21 ' A' ' 33' ' ' THR . 0.0 OUTLIER -43.65 -47.27 7.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.567 1.167 . . . . 0.0 109.283 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.1 p -138.03 99.1 3.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.006 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.702 HG21 HD23 ' A' ' 36' ' ' LEU . 1.6 m -110.82 112.15 23.81 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.433 1.083 . . . . 0.0 110.443 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.419 ' O ' ' C ' ' A' ' 50' ' ' ALA . 10.4 m0 -117.97 161.26 20.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 108.059 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.692 ' CG2' ' HB3' ' A' ' 54' ' ' ALA . 10.9 p -158.42 123.83 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.516 HG13 HG21 ' A' ' 12' ' ' ILE . 32.0 mt -71.54 110.96 4.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.642 HD22 ' CD2' ' A' ' 30' ' ' TYR . 2.3 mp -121.78 132.49 54.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.431 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 24.3 m80 37.27 39.9 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.592 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.431 ' HB2' ' O ' ' A' ' 26' ' ' HIS . 62.9 m170 68.97 52.22 0.52 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.548 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.519 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 2.7 ptmt -170.03 127.45 0.86 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.85 HG23 HD11 ' A' ' 76' ' ' ILE . 18.3 m -74.68 142.06 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.642 ' CD2' HD22 ' A' ' 25' ' ' LEU . 2.9 m-30 -116.86 106.95 14.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.977 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -73.76 76.15 1.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.342 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 pp -95.85 39.21 1.14 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.742 HG23 ' O ' ' A' ' 18' ' ' SER . 58.3 m -61.73 -49.59 75.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.409 1.068 . . . . 0.0 110.444 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.67 -37.87 73.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.552 ' HB2' ' CZ ' ' A' ' 74' ' ' TYR . 75.7 t80 -90.02 20.37 4.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.12 . . . . 0.0 110.949 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.702 HD23 HG21 ' A' ' 21' ' ' THR . 1.3 tm? -76.98 -47.3 21.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.35 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -89.52 -7.19 55.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.431 1.082 . . . . 0.0 110.309 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.73 -22.42 24.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.239 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.76 ' CE1' HD21 ' A' ' 46' ' ' LEU . 5.4 t-160 -50.08 124.78 17.76 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 109.603 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.542 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.3 Cg_endo -74.92 -30.95 6.76 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.492 1.785 . . . . 0.0 110.987 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.18 -66.42 2.46 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.459 1.099 . . . . 0.0 111.027 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -173.91 149.65 11.07 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.459 ' HA ' HD12 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -87.72 -19.01 28.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 0.786 . . . . 0.0 110.268 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.504 ' O ' ' N ' ' A' ' 48' ' ' GLU . 2.7 mt-10 -84.8 -53.55 5.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.306 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.405 HG12 ' H ' ' A' ' 45' ' ' VAL . 0.2 OUTLIER -40.11 -28.83 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 0.0 109.317 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.76 HD21 ' CE1' ' A' ' 39' ' ' HIS . 0.8 OUTLIER -84.75 -61.3 1.82 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 0.0 109.353 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.488 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 9.6 mtm180 -57.82 -57.38 13.01 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.336 1.023 . . . . 0.0 110.308 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' A' ' 44' ' ' GLU . 0.7 OUTLIER -34.19 -45.08 0.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.289 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -133.57 53.25 2.02 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.475 1.109 . . . . 0.0 110.228 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.488 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -73.01 -91.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.448 ' CA ' ' HB ' ' A' ' 12' ' ' ILE . . . -42.97 -28.71 0.75 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.448 1.092 . . . . 0.0 110.954 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 51' ' ' GLY . . . -59.86 -136.7 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -132.76 110.79 10.62 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.438 0.729 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.692 ' HB3' ' CG2' ' A' ' 23' ' ' VAL . . . -115.36 16.35 16.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.25 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.0 m -49.97 -58.74 4.84 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.132 . . . . 0.0 110.374 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.58 -41.15 80.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.154 . . . . 0.0 110.284 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.462 ' O ' HG13 ' A' ' 61' ' ' VAL . 2.2 m120 -65.96 -13.36 59.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.798 ' CD1' ' CE1' ' A' ' 63' ' ' HIS . 77.3 t80 -98.76 -40.03 8.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 111.031 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -81.09 -35.53 31.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 110.246 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -56.7 -42.63 79.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.708 HG22 ' O ' ' A' ' 58' ' ' PHE . 7.8 m -67.54 -18.52 23.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 62.81 84.02 0.07 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.421 1.076 . . . . 0.0 110.981 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.798 ' CE1' ' CD1' ' A' ' 58' ' ' PHE . 32.6 m80 -71.62 140.07 49.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 0.795 . . . . 0.0 109.63 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.22 169.62 17.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.014 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -50.97 -47.41 61.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.465 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 65' ' ' THR . 0.1 OUTLIER -40.67 -42.56 1.75 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 109.324 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.14 -48.16 71.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 65' ' ' THR . 25.6 ttt180 -40.07 -46.66 2.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -64.89 -54.77 25.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 110.275 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.501 HD23 ' CE1' ' A' ' 35' ' ' TYR . 0.9 OUTLIER -54.31 -67.83 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.368 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.585 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 5.0 p -32.82 -57.31 0.37 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.96 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.7 tttt -56.19 -52.44 64.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.463 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -57.35 -31.71 66.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.46 179.909 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.552 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 49.8 m-85 -99.64 38.78 1.39 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.44 1.088 . . . . 0.0 111.031 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -115.21 140.61 35.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.85 HD11 HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -122.72 -38.71 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.172 . . . . 0.0 109.281 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.465 ' N ' HG12 ' A' ' 76' ' ' ILE . . . 175.19 -162.21 31.75 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.469 1.106 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.419 ' O ' ' O ' ' A' ' 5' ' ' LYS . 1.9 mt-10 -122.34 169.7 10.68 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.53 0.782 . . . . 0.0 110.342 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.724 HD22 ' C ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -104.18 150.25 24.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.35 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.576 ' O ' HD22 ' A' ' 79' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.56 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.581 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -101.04 103.82 14.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 111.001 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.581 ' CE1' ' HB3' ' A' ' 5' ' ' LYS . 16.9 m-85 -92.0 146.15 23.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.421 ' C ' ' N ' ' A' ' 10' ' ' GLU . 1.2 p -71.62 146.6 48.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 110.416 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.433 ' O ' HG12 ' A' ' 12' ' ' ILE . 0.4 OUTLIER -52.89 -18.07 1.74 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.444 1.09 . . . . 0.0 109.208 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.439 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -70.86 -40.55 72.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.277 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.499 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -49.04 -71.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.335 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.528 HD13 ' H ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -32.04 -55.12 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 179.905 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.416 ' HB2' ' O ' ' A' ' 10' ' ' GLU . 18.7 mm-40 -48.92 -55.71 10.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 11' ' ' GLU . 67.9 mmtt -49.43 -35.52 19.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.568 1.167 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.496 ' CA ' ' O ' ' A' ' 20' ' ' SER . 2.7 m-70 -90.98 55.07 2.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 109.57 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.95 25.3 11.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -135.39 164.07 28.6 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.44 1.087 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.605 ' O ' HG23 ' A' ' 33' ' ' THR . 0.4 OUTLIER -51.62 -50.93 59.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.43 1.081 . . . . 0.0 109.962 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.686 ' O ' HG21 ' A' ' 33' ' ' THR . 12.3 mmtt -39.97 -51.32 2.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.496 ' O ' ' CA ' ' A' ' 15' ' ' HIS . 11.6 m -139.94 101.92 4.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.023 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.9 m -112.17 116.09 29.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 110.416 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.42 ' O ' ' C ' ' A' ' 50' ' ' ALA . 10.0 m0 -115.52 163.33 15.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 108.057 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.56 ' CG2' ' HB3' ' A' ' 54' ' ' ALA . 7.6 p -158.41 124.75 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.656 ' O ' HD12 ' A' ' 25' ' ' LEU . 20.1 mt -71.11 121.91 22.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.656 HD12 ' O ' ' A' ' 24' ' ' ILE . 2.2 mp -132.91 133.19 42.92 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.44 ' C ' ' O ' ' A' ' 25' ' ' LEU . 17.3 m80 36.82 39.76 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.607 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.2 m170 69.6 51.36 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.586 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.569 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -170.15 131.29 0.99 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.793 HG23 HD11 ' A' ' 76' ' ' ILE . 16.3 m -77.15 142.85 13.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.441 1.088 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.617 ' CD2' HD22 ' A' ' 25' ' ' LEU . 2.5 m-30 -118.27 104.91 11.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.92 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -73.2 80.34 1.29 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 36' ' ' LEU . 0.6 OUTLIER -98.68 28.33 4.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.096 . . . . 0.0 109.307 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.686 HG21 ' O ' ' A' ' 19' ' ' LYS . 69.8 m -50.07 -49.81 50.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.414 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm -68.47 -41.59 79.93 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.589 ' CD2' ' O ' ' A' ' 35' ' ' TYR . 83.1 t80 -89.95 25.51 2.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.797 HD11 HH11 ' A' ' 47' ' ' ARG . 2.0 tm? -82.08 -47.98 11.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.24 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -89.98 -6.76 55.3 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.471 1.107 . . . . 0.0 110.302 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -89.89 -21.58 22.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.306 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.613 ' CE1' HD21 ' A' ' 46' ' ' LEU . 6.3 t-160 -49.97 123.6 15.79 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.606 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.506 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.3 Cg_endo -75.03 -33.05 4.84 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.447 1.761 . . . . 0.0 110.947 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.18 -65.04 3.32 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.514 1.134 . . . . 0.0 111.063 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.18 148.68 10.11 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.496 ' HA ' HD12 ' A' ' 46' ' ' LEU . 3.8 pt-20 -88.92 -36.7 15.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 0.775 . . . . 0.0 110.297 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.527 ' O ' ' N ' ' A' ' 48' ' ' GLU . 1.9 mm-40 -67.55 -54.15 22.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.308 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.421 ' H ' HG12 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -39.89 -29.2 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.439 1.087 . . . . 0.0 109.296 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.613 HD21 ' CE1' ' A' ' 39' ' ' HIS . 1.8 mt -85.28 -58.83 2.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.797 HH11 HD11 ' A' ' 36' ' ' LEU . 76.2 mtm-85 -60.47 -57.92 10.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.432 1.083 . . . . 0.0 110.291 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.527 ' N ' ' O ' ' A' ' 44' ' ' GLU . 39.5 tt0 -33.39 -45.25 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.087 . . . . 0.0 110.268 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -132.55 52.79 2.05 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.47 1.106 . . . . 0.0 110.333 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.512 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -71.79 -92.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.41 ' CA ' ' HB ' ' A' ' 12' ' ' ILE . . . -39.51 -30.76 0.19 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.49 ' O ' HD12 ' A' ' 24' ' ' ILE . . . -61.16 -141.47 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -131.22 113.8 14.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 0.76 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.56 ' HB3' ' CG2' ' A' ' 23' ' ' VAL . . . -115.31 20.85 14.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.5 m -50.58 -60.05 3.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.335 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.453 ' HA ' ' CG ' ' A' ' 59' ' ' GLU . 16.5 mm-40 -65.25 -42.21 93.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.355 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.426 ' O ' HG13 ' A' ' 61' ' ' VAL . 1.9 m120 -65.68 -12.8 56.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.804 ' CD1' ' CE1' ' A' ' 63' ' ' HIS . 79.4 t80 -99.86 -41.05 7.4 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.448 1.093 . . . . 0.0 111.037 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.453 ' CG ' ' HA ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -81.56 -29.89 33.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 110.302 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.434 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 59.9 t0 -62.11 -41.45 98.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.649 HG22 ' O ' ' A' ' 58' ' ' PHE . 6.4 m -69.9 -17.67 21.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 62.31 85.45 0.05 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.53 1.143 . . . . 0.0 110.966 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' HIS . . . . . 0.804 ' CE1' ' CD1' ' A' ' 58' ' ' PHE . 36.3 m80 -72.73 140.02 47.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 0.723 . . . . 0.0 109.584 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.1 m -78.72 170.13 17.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.982 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 68' ' ' ARG . 0.9 OUTLIER -52.27 -46.7 65.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.366 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -41.55 -42.04 2.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.3 -46.87 75.47 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.592 1.182 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 65' ' ' THR . 0.0 OUTLIER -41.32 -44.71 2.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 110.281 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.63 -54.01 27.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.291 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.481 ' O ' ' C ' ' A' ' 71' ' ' SER . 0.8 OUTLIER -54.43 -68.52 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.585 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 2.3 p -31.85 -57.39 0.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 110.028 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.762 ' O ' HG22 ' A' ' 75' ' ' ILE . 0.6 OUTLIER -54.9 -54.6 40.52 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.462 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.7 OUTLIER -57.2 -30.69 64.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.345 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.53 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 48.6 m-85 -99.63 39.87 1.28 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.762 HG22 ' O ' ' A' ' 72' ' ' LYS . 5.3 tt -118.7 145.08 25.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.793 HD11 HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -127.17 -38.63 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.497 ' O ' HG22 ' A' ' 29' ' ' VAL . . . 174.27 -167.7 40.19 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.481 1.113 . . . . 0.0 111.023 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -116.18 170.0 8.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.436 0.727 . . . . 0.0 110.334 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.775 HD22 ' C ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -107.02 150.46 26.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.483 ' O ' HD22 ' A' ' 79' ' ' LEU . 3.9 t-160 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.577 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.45 ' CG1' ' CE1' ' A' ' 6' ' ' TYR . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.503 ' HA ' ' CE ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -114.29 119.89 38.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.311 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.45 ' CE1' ' CG1' ' A' ' 4' ' ' VAL . 35.4 m-85 -100.59 113.52 26.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.474 ' CZ ' ' HB3' ' A' ' 5' ' ' LYS . 18.4 m-85 -102.79 148.99 24.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 110.978 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.401 ' C ' ' N ' ' A' ' 10' ' ' GLU . 0.4 OUTLIER -76.54 146.28 38.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.567 1.167 . . . . 0.0 110.359 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.464 ' HA ' HD11 ' A' ' 12' ' ' ILE . 1.3 pt? -53.47 -18.83 3.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.153 . . . . 0.0 109.331 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.401 ' N ' ' C ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -66.55 -31.04 71.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 110.334 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.514 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.1 OUTLIER -61.64 -75.75 0.07 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 110.257 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.514 ' C ' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -31.75 -44.87 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.241 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -55.0 -73.5 0.05 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.72 -22.35 5.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.365 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.451 ' CD2' ' CG ' ' A' ' 11' ' ' GLU . 74.0 m-70 -96.7 45.88 1.05 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.501 1.125 . . . . 0.0 109.6 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.419 ' HG2' ' HB3' ' A' ' 50' ' ' ALA . 4.1 tmtt? -109.98 24.3 13.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -119.38 169.3 10.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.572 ' O ' HG23 ' A' ' 33' ' ' THR . 0.6 OUTLIER -58.27 -45.51 87.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.996 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.486 ' O ' HG21 ' A' ' 33' ' ' THR . 0.4 OUTLIER -43.88 -52.84 6.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.2 m -135.69 95.92 3.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.015 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.759 HG21 HD23 ' A' ' 36' ' ' LEU . 1.4 m -98.61 112.45 24.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.102 . . . . 0.0 110.388 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.4 ' O ' ' C ' ' A' ' 50' ' ' ALA . 10.3 m0 -118.24 157.48 26.94 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.685 HG22 HD13 ' A' ' 25' ' ' LEU . 4.2 p -154.7 122.95 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.157 . . . . 0.0 109.248 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.492 HG13 HG21 ' A' ' 12' ' ' ILE . 16.9 mt -68.77 113.89 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.685 HD13 HG22 ' A' ' 23' ' ' VAL . 1.8 mp -124.87 118.48 26.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.55 ' O ' ' CG ' ' A' ' 27' ' ' HIS . 13.8 m80 39.9 61.44 1.47 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.604 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.55 ' CG ' ' O ' ' A' ' 26' ' ' HIS . 27.9 p80 50.66 51.21 17.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 109.695 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.426 ' HG2' HD11 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -169.96 113.2 0.48 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 109.227 -179.917 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.766 HG23 HD11 ' A' ' 76' ' ' ILE . 10.8 m -71.27 141.94 16.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.62 ' CD2' HD22 ' A' ' 25' ' ' LEU . 4.5 m-30 -116.84 109.99 17.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -79.52 77.04 6.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.473 HD11 HD13 ' A' ' 46' ' ' LEU . 0.6 OUTLIER -93.91 39.66 1.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.328 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.572 HG23 ' O ' ' A' ' 18' ' ' SER . 55.6 m -61.87 -49.62 75.53 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.416 1.073 . . . . 0.0 110.385 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.31 -41.71 84.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.531 ' HB2' ' CZ ' ' A' ' 74' ' ' TYR . 91.5 t80 -89.92 21.69 3.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 110.95 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.759 HD23 HG21 ' A' ' 21' ' ' THR . 1.9 tm? -74.98 -51.12 14.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -87.5 -9.23 55.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.301 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.03 -23.01 28.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.346 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.723 ' CE1' HD21 ' A' ' 46' ' ' LEU . 5.1 t-160 -49.91 126.55 19.44 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.568 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.595 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.0 Cg_endo -75.08 -28.83 8.71 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.555 1.819 . . . . 0.0 110.981 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.55 -68.31 1.7 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.48 1.112 . . . . 0.0 110.969 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.09 148.38 9.95 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.469 ' HA ' HD12 ' A' ' 46' ' ' LEU . 0.5 OUTLIER -85.77 -18.44 32.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.781 . . . . 0.0 110.305 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 48' ' ' GLU . 7.7 tt0 -85.28 -54.1 4.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.415 1.072 . . . . 0.0 110.311 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.536 HG22 ' CAC' ' A' ' 95' ' ' HEM . 0.2 OUTLIER -40.17 -28.84 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.09 . . . . 0.0 109.322 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.723 HD21 ' CE1' ' A' ' 39' ' ' HIS . 0.9 OUTLIER -85.09 -61.52 1.75 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.615 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 22.9 mtm180 -57.13 -56.7 18.38 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.544 1.152 . . . . 0.0 110.312 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 44' ' ' GLU . 3.2 tp10 -34.17 -45.09 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.314 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.474 ' HG3' ' HB2' ' A' ' 54' ' ' ALA . 22.2 pt20 -129.64 48.12 2.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 0.0 110.272 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.615 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -70.13 -92.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.352 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 52' ' ' GLY . . . -41.84 -32.94 1.02 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.535 1.147 . . . . 0.0 110.97 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.411 ' O ' HD12 ' A' ' 24' ' ' ILE . . . -59.51 -141.43 0.01 OUTLIER Glycine 0 CA--C 1.529 0.944 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -129.55 111.13 12.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 0.731 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.62 ' HB3' ' CG2' ' A' ' 23' ' ' VAL . . . -112.79 19.33 17.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.0 m -50.51 -61.35 2.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 110.471 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.421 ' HA ' ' CG ' ' A' ' 59' ' ' GLU . 14.3 mt-10 -66.1 -40.53 90.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 110.325 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -65.99 -13.28 59.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.794 ' CD1' ' CE1' ' A' ' 63' ' ' HIS . 75.1 t80 -99.91 -40.3 7.74 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.612 1.195 . . . . 0.0 110.97 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.421 ' CG ' ' HA ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -81.38 -30.39 33.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 110.243 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.412 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 49.0 t0 -60.39 -44.08 96.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.97 HG11 HMD1 ' A' ' 95' ' ' HEM . 9.1 m -67.3 -17.56 22.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 109.259 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 62.22 84.13 0.06 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.499 1.124 . . . . 0.0 111.044 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.794 ' CE1' ' CD1' ' A' ' 58' ' ' PHE . 35.3 m80 -71.47 140.13 49.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 0.786 . . . . 0.0 109.574 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.26 170.03 15.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.426 1.079 . . . . 0.0 109.997 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -50.3 -46.79 55.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.362 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -41.09 -40.6 1.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.25 -46.72 66.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.339 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 65' ' ' THR . 4.5 ttp180 -42.52 -45.25 4.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 110.338 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.22 -50.55 67.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.472 1.108 . . . . 0.0 110.301 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 73' ' ' THR . 1.1 mp -61.07 -66.51 0.52 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.595 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 5.3 p -33.93 -55.51 0.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.005 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.54 ' O ' HG22 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -58.22 -51.09 71.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.357 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -59.18 -29.98 67.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.373 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.531 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 40.9 m-85 -100.05 39.74 1.31 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.957 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.54 HG22 ' O ' ' A' ' 72' ' ' LYS . 4.6 tt -113.83 139.89 37.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 109.342 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.766 HD11 HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -124.64 -37.21 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 109.339 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.698 ' O ' HG22 ' A' ' 29' ' ' VAL . . . 169.69 -175.82 43.74 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.549 1.156 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -109.08 170.07 8.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 0.777 . . . . 0.0 110.304 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.696 HD22 ' C ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -104.91 152.16 22.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.256 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.557 ' O ' HD22 ' A' ' 79' ' ' LEU . 0.5 OUTLIER -38.68 108.66 0.47 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.598 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 0.77 8.52 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.493 1.786 . . . . 0.0 110.964 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -76.7 -45.05 31.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -91.13 -7.41 51.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.419 1.074 . . . . 0.0 109.295 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 11.2 ttp180 -71.7 -37.26 70.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.293 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.517 ' OG ' ' HB3' ' A' ' 88' ' ' ALA . 39.2 t -90.85 45.77 1.28 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.547 1.154 . . . . 0.0 110.009 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.06 -22.12 45.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.6 mp -81.84 -54.67 9.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.517 ' HB3' ' OG ' ' A' ' 85' ' ' SER . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' HEM . . . . . 0.97 HMD1 HG11 ' A' ' 61' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.468 ' CG1' ' CE1' ' A' ' 6' ' ' TYR . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.48 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -111.9 120.79 43.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.468 ' CE1' ' CG1' ' A' ' 4' ' ' VAL . 30.5 m-85 -99.29 124.23 44.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.603 1.19 . . . . 0.0 111.034 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.48 ' CE1' ' HB3' ' A' ' 5' ' ' LYS . 13.5 m-85 -111.5 146.34 37.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.387 1.054 . . . . 0.0 111.008 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.413 ' C ' ' N ' ' A' ' 10' ' ' GLU . 1.7 p -73.76 145.94 44.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 110.39 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.407 ' O ' HG12 ' A' ' 12' ' ' ILE . 1.4 pt? -52.75 -18.87 2.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.413 ' N ' ' C ' ' A' ' 8' ' ' THR . 1.1 mt-10 -63.56 -33.72 76.23 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.46 1.1 . . . . 0.0 110.27 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.493 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -61.61 -74.61 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 110.236 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.498 HD13 ' H ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -33.61 -40.7 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.432 ' C ' ' N ' ' A' ' 15' ' ' HIS . 5.7 mm-40 -61.8 -82.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.315 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.426 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -41.76 -29.29 0.19 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.447 ' C ' ' O ' ' A' ' 20' ' ' SER . 85.2 m-70 -91.29 48.31 1.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 109.603 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.6 pttt -110.2 30.71 6.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.363 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 20' ' ' SER . 0.1 OUTLIER -129.32 163.69 25.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.611 ' O ' HG23 ' A' ' 33' ' ' THR . 0.1 OUTLIER -48.85 -53.98 17.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.033 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.572 ' O ' HG21 ' A' ' 33' ' ' THR . 0.0 OUTLIER -44.19 -45.31 8.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 15' ' ' HIS . 23.6 p -137.41 99.21 3.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.034 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.519 HG21 ' CD2' ' A' ' 36' ' ' LEU . 0.5 OUTLIER -114.31 109.82 18.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.454 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.42 ' O ' ' C ' ' A' ' 50' ' ' ALA . 10.2 m0 -115.96 162.12 17.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 107.999 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.696 HG22 HD13 ' A' ' 25' ' ' LEU . 2.5 p -158.66 121.84 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 8.2 mt -68.91 108.58 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.564 1.165 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.696 HD13 HG22 ' A' ' 23' ' ' VAL . 0.6 OUTLIER -117.11 120.76 39.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 39.73 53.74 2.52 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.428 1.08 . . . . 0.0 109.569 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 56.7 51.91 10.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.588 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -169.95 106.33 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.108 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.826 HG23 HD11 ' A' ' 76' ' ' ILE . 6.2 m -62.9 141.6 17.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.564 1.165 . . . . 0.0 109.338 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.619 ' CE2' HD23 ' A' ' 25' ' ' LEU . 3.6 m-30 -117.14 108.82 16.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.918 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.407 ' HA ' ' CD1' ' A' ' 22' ' ' TRP . 23.9 t0 -78.21 78.25 4.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.471 HD11 HD13 ' A' ' 46' ' ' LEU . 0.5 OUTLIER -95.34 36.29 1.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.252 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.611 HG23 ' O ' ' A' ' 18' ' ' SER . 54.3 m -56.86 -52.26 65.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.465 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.89 -41.14 91.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.539 ' HB2' ' CZ ' ' A' ' 74' ' ' TYR . 85.7 t80 -89.33 19.46 4.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.9 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.635 HD13 ' C ' ' A' ' 36' ' ' LEU . 2.5 tm? -75.84 -48.32 22.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 0.0 109.332 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -90.06 -9.84 46.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 110.301 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.15 -23.11 28.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.326 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.704 ' CE1' HD21 ' A' ' 46' ' ' LEU . 5.0 t-160 -50.08 126.88 20.91 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.44 1.088 . . . . 0.0 109.598 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.602 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.2 Cg_endo -75.0 -26.55 10.8 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.484 1.781 . . . . 0.0 110.984 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.84 -68.47 1.64 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.495 1.122 . . . . 0.0 111.088 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.1 145.03 7.89 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.4 -7.47 59.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 0.746 . . . . 0.0 110.293 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.463 ' C ' ' N ' ' A' ' 46' ' ' LEU . 34.9 tt0 -97.22 -52.9 3.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 110.242 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.471 HG22 ' CAC' ' A' ' 95' ' ' HEM . 0.2 OUTLIER -40.24 -28.42 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.704 HD21 ' CE1' ' A' ' 39' ' ' HIS . 0.3 OUTLIER -87.03 -49.72 7.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.335 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.611 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 5.0 mtp-105 -65.25 -60.06 3.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.591 1.182 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.464 ' C ' ' O ' ' A' ' 47' ' ' ARG . 28.6 tt0 -33.42 -45.09 0.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.122 . . . . 0.0 110.271 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -129.14 47.78 2.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.321 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.611 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -71.99 -90.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -40.78 -33.12 0.58 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.458 1.099 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.31 -137.01 0.01 OUTLIER Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -136.17 115.02 12.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 0.793 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.55 ' HB3' HG21 ' A' ' 23' ' ' VAL . . . -112.03 25.68 11.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.44 1.087 . . . . 0.0 109.225 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 28.5 m -50.43 -72.1 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 110.439 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 60' ' ' ASP . 18.4 mt-10 -59.44 -36.23 75.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 110.318 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.615 ' O ' HG13 ' A' ' 61' ' ' VAL . 2.7 m120 -63.33 -23.68 67.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 109.321 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.624 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.5 OUTLIER -91.94 -39.83 11.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 111.03 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -77.52 -30.99 53.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.286 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 56' ' ' GLU . 56.7 t0 -62.7 -43.85 97.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.652 1.22 . . . . 0.0 109.22 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.945 HG11 HMD1 ' A' ' 95' ' ' HEM . 5.4 m -70.0 -17.21 20.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 59.27 84.8 0.04 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.457 1.098 . . . . 0.0 110.979 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.475 ' CE1' ' CG2' ' A' ' 61' ' ' VAL . 36.4 m80 -69.94 140.01 52.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 0.76 . . . . 0.0 109.612 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.57 170.0 16.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.03 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -51.49 -46.53 63.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.377 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -41.94 -41.14 2.39 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.56 1.163 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.3 -46.2 74.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 65' ' ' THR . 3.7 ttt180 -43.07 -40.87 3.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.37 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -69.32 -53.33 20.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 110.366 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.475 ' O ' ' C ' ' A' ' 71' ' ' SER . 0.8 OUTLIER -57.23 -65.83 0.56 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.258 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.608 ' HB3' ' CE2' ' A' ' 30' ' ' TYR . 58.8 m -32.74 -58.51 0.35 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 110.005 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.615 ' O ' HG22 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -56.4 -51.56 67.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.457 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.7 OUTLIER -57.69 -31.36 66.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.407 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.539 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 45.0 m-85 -100.04 41.61 1.15 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.425 1.078 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.615 HG22 ' O ' ' A' ' 72' ' ' LYS . 6.6 tt -116.06 139.93 40.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.826 HD11 HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -123.3 -38.83 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.474 ' N ' HG12 ' A' ' 76' ' ' ILE . . . 173.6 -162.38 33.3 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.482 1.114 . . . . 0.0 111.038 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -119.84 170.07 9.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 0.774 . . . . 0.0 110.351 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.753 HD22 ' C ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -98.7 144.54 27.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.646 ' O ' HD22 ' A' ' 79' ' ' LEU . 0.3 OUTLIER -38.52 120.05 1.09 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.583 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.492 ' HA ' ' HB3' ' A' ' 84' ' ' ARG . 18.2 Cg_endo -75.05 -4.55 15.57 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.53 1.805 . . . . 0.0 111.014 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -80.31 -33.53 37.5 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.566 1.166 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -99.96 -8.82 23.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.492 ' HB3' ' HA ' ' A' ' 81' ' ' PRO . 0.0 OUTLIER -60.2 -22.68 63.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.3 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -109.37 45.64 1.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.997 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -100.01 38.88 1.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.3 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.3 mp -99.9 -59.76 3.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.168 . . . . 0.0 109.318 179.958 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 95' ' ' HEM . . . . . 0.945 HMD1 HG11 ' A' ' 61' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.463 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -115.89 124.02 49.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 0.0 109.295 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -100.56 111.82 24.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.085 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.463 ' CE1' ' HB3' ' A' ' 5' ' ' LYS . 20.3 m-85 -100.02 149.71 23.19 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.563 1.165 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.1 p -79.13 151.47 31.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 110.445 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.428 ' HA ' HD11 ' A' ' 12' ' ' ILE . 1.5 pt? -55.7 -18.29 7.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.412 ' N ' HD23 ' A' ' 9' ' ' LEU . 2.1 mm-40 -65.48 -34.35 78.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.459 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -61.71 -72.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.378 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.504 HG21 HG13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -36.0 -42.06 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 0.0 109.291 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.408 ' C ' ' N ' ' A' ' 15' ' ' HIS . 2.2 mm-40 -59.4 -78.84 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.399 1.062 . . . . 0.0 110.299 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.411 ' HE3' ' NE2' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -46.42 -26.4 0.84 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 0.0 109.253 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.416 ' NE2' ' HG3' ' A' ' 11' ' ' GLU . 81.1 m-70 -93.55 43.67 1.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.586 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -108.23 23.59 14.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.329 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -119.72 169.35 10.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.672 ' O ' HG23 ' A' ' 33' ' ' THR . 0.5 OUTLIER -57.08 -49.09 76.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.017 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.579 ' O ' HG21 ' A' ' 33' ' ' THR . 3.4 ptpt -43.14 -46.63 5.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.405 ' N ' ' HG3' ' A' ' 19' ' ' LYS . 25.9 m -139.88 98.55 3.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.059 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.588 HG21 HD23 ' A' ' 36' ' ' LEU . 1.9 m -103.42 110.26 22.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.415 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 8.6 m0 -115.67 158.08 23.29 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.62 ' CG2' ' HB3' ' A' ' 54' ' ' ALA . 8.6 p -157.26 121.19 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.504 HG13 HG21 ' A' ' 12' ' ' ILE . 8.0 mt -68.43 106.32 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.253 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.631 HD23 ' CE2' ' A' ' 30' ' ' TYR . 0.5 OUTLIER -117.44 122.29 43.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.417 ' C ' ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER 38.99 55.57 2.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.566 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.5 m80 52.86 51.89 15.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.622 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt -168.91 99.32 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.283 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.817 HG23 HD11 ' A' ' 76' ' ' ILE . 11.5 m -56.53 140.3 14.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.631 ' CE2' HD23 ' A' ' 25' ' ' LEU . 4.8 m-30 -115.91 107.71 15.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 111.031 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -77.22 74.75 3.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.406 1.066 . . . . 0.0 109.294 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.434 HD22 ' HAB' ' A' ' 95' ' ' HEM . 0.9 OUTLIER -92.71 44.95 1.17 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.528 1.142 . . . . 0.0 109.243 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.672 HG23 ' O ' ' A' ' 18' ' ' SER . 92.8 m -66.05 -49.43 67.71 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 0.0 110.377 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.05 -36.01 72.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.56 ' HB2' ' CZ ' ' A' ' 74' ' ' TYR . 80.4 t80 -89.71 14.81 10.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 111.019 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.626 HD13 ' C ' ' A' ' 36' ' ' LEU . 1.8 tm? -71.59 -45.61 61.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -90.06 -9.29 49.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.1 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.84 -24.91 28.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 110.283 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.77 ' CE1' HD21 ' A' ' 46' ' ' LEU . 5.1 t-160 -50.88 123.5 18.75 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.639 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.453 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.4 Cg_endo -75.02 -30.71 6.84 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.447 1.762 . . . . 0.0 111.026 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.01 -65.57 3.04 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.524 1.14 . . . . 0.0 111.034 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.1 145.31 8.05 Favored Glycine 0 CA--C 1.529 0.946 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.406 ' HA ' HD12 ' A' ' 46' ' ' LEU . 1.5 pt-20 -86.95 -7.63 57.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 0.732 . . . . 0.0 110.264 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' A' ' 48' ' ' GLU . 1.2 tp10 -98.19 -53.78 3.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.427 ' H ' HG12 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -40.04 -28.72 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.77 HD21 ' CE1' ' A' ' 39' ' ' HIS . 1.2 mt -80.87 -58.22 3.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.631 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 57.2 mtm180 -62.39 -50.32 72.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.224 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 44' ' ' GLU . 7.3 pt-20 -35.97 -36.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 110.335 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.408 ' N ' ' O ' ' A' ' 47' ' ' ARG . 12.9 pt20 -143.24 45.84 1.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.434 1.084 . . . . 0.0 110.319 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.631 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -65.48 -87.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.401 ' O ' ' HB ' ' A' ' 12' ' ' ILE . . . -44.49 -30.73 2.19 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.46 1.1 . . . . 0.0 110.982 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.501 ' O ' HD12 ' A' ' 24' ' ' ILE . . . -60.36 -137.21 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -134.16 111.46 10.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 0.785 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.62 ' HB3' ' CG2' ' A' ' 23' ' ' VAL . . . -111.12 23.29 14.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.354 1.034 . . . . 0.0 109.315 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 17.5 m -50.76 -69.96 0.1 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 110.408 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 23.5 mt-10 -62.18 -38.83 90.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.412 1.07 . . . . 0.0 110.24 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.562 ' O ' HG13 ' A' ' 61' ' ' VAL . 3.6 m120 -61.59 -20.32 63.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.701 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.6 OUTLIER -95.33 -40.2 9.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -77.3 -34.64 55.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' A' ' 56' ' ' GLU . 12.0 t70 -59.09 -42.14 89.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.975 HG11 HMD1 ' A' ' 95' ' ' HEM . 5.0 m -70.97 -16.41 19.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 57.8 85.27 0.03 OUTLIER Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.549 1.155 . . . . 0.0 111.029 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.479 ' CE1' ' CG2' ' A' ' 61' ' ' VAL . 34.7 m80 -69.98 140.04 52.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.433 0.725 . . . . 0.0 109.598 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.7 m -81.55 170.14 16.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.002 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -50.95 -46.3 60.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 110.431 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -41.04 -41.36 1.67 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.39 -46.51 66.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.256 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 65' ' ' THR . 3.2 ttt85 -39.21 -45.89 1.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.316 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -66.84 -54.99 16.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 110.266 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.467 ' O ' ' C ' ' A' ' 71' ' ' SER . 0.8 OUTLIER -55.32 -66.85 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.276 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.606 ' HB3' ' CE2' ' A' ' 30' ' ' TYR . 74.0 m -33.12 -58.0 0.38 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 109.986 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.26 -50.15 74.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.46 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -57.66 -31.35 66.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.44 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.56 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 44.0 m-85 -100.0 37.94 1.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 111.075 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -112.15 139.85 34.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.35 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.817 HD11 HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -123.15 -38.01 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.496 ' N ' HG12 ' A' ' 76' ' ' ILE . . . 174.69 -159.76 28.64 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.553 1.158 . . . . 0.0 110.991 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -122.68 170.13 10.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 0.784 . . . . 0.0 110.244 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 1.076 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -105.97 150.86 25.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.643 ' N ' HD22 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -37.84 115.05 0.77 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.622 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.42 ' HA ' ' HB3' ' A' ' 84' ' ' ARG . 18.1 Cg_endo -74.97 -17.44 19.61 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.521 1.8 . . . . 0.0 110.955 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.96 -34.58 38.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -100.11 18.73 17.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.42 ' HB3' ' HA ' ' A' ' 81' ' ' PRO . 20.1 ptt180 -76.07 -14.56 60.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.303 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 43.1 t -109.88 21.05 17.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.6 1.187 . . . . 0.0 110.022 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.65 30.76 3.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.6 mp -96.13 -47.84 12.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.335 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 179.982 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 95' ' ' HEM . . . . . 0.975 HMD1 HG11 ' A' ' 61' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.407 ' CG1' ' CE1' ' A' ' 6' ' ' TYR . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.523 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -115.13 121.26 42.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.407 ' CE1' ' CG1' ' A' ' 4' ' ' VAL . 32.3 m-85 -100.98 109.21 21.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.967 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.523 ' CE1' ' HB3' ' A' ' 5' ' ' LYS . 15.9 m-85 -97.4 151.51 19.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 111.065 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.9 p -83.9 149.13 26.54 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.535 1.147 . . . . 0.0 110.363 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -53.55 -18.99 3.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.15 -38.13 89.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.311 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.47 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -58.63 -73.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 110.323 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.586 HG21 HG13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -35.3 -44.67 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.359 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.415 ' C ' ' N ' ' A' ' 15' ' ' HIS . 12.9 mm-40 -55.96 -78.97 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 110.335 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -47.55 -24.42 0.86 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.563 1.165 . . . . 0.0 109.197 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.415 ' N ' ' C ' ' A' ' 13' ' ' GLN . 82.3 m-70 -94.13 43.8 1.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.641 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.412 ' HG3' ' HB3' ' A' ' 50' ' ' ALA . 7.6 ttpp -110.16 32.94 4.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -129.82 161.71 30.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.167 . . . . 0.0 109.316 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.532 ' O ' HG23 ' A' ' 33' ' ' THR . 0.5 OUTLIER -47.35 -50.23 22.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.948 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.564 ' O ' HG21 ' A' ' 33' ' ' THR . 11.8 mptt -39.42 -58.82 1.17 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.8 m -135.83 96.49 3.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.013 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.4 m -102.29 109.87 21.66 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 110.383 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.409 ' O ' ' C ' ' A' ' 50' ' ' ALA . 11.0 m0 -109.05 162.39 14.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 107.962 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.483 ' CG1' ' HB2' ' A' ' 30' ' ' TYR . 14.7 p -154.0 119.74 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.586 HG13 HG21 ' A' ' 12' ' ' ILE . 23.4 mt -69.54 113.39 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.64 HD22 ' CD2' ' A' ' 30' ' ' TYR . 1.6 mp -122.18 115.73 22.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.4 ' C ' ' O ' ' A' ' 25' ' ' LEU . 7.6 p-80 38.83 60.31 1.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.622 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.551 ' CE1' ' HG2' ' A' ' 84' ' ' ARG . 98.0 m-70 53.48 52.65 12.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.595 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.1 mttp -169.56 107.07 0.39 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.397 1.061 . . . . 0.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.812 HG23 HD11 ' A' ' 76' ' ' ILE . 10.2 m -69.1 140.37 18.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.575 1.172 . . . . 0.0 109.3 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.64 ' CD2' HD22 ' A' ' 25' ' ' LEU . 4.5 m-30 -116.81 107.84 15.12 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.49 1.119 . . . . 0.0 110.984 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -76.27 73.29 3.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' A' ' 36' ' ' LEU . 0.9 OUTLIER -90.81 38.51 0.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.564 HG21 ' O ' ' A' ' 19' ' ' LYS . 92.2 m -60.2 -54.99 39.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.378 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.52 -43.6 98.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.588 ' CD2' ' O ' ' A' ' 35' ' ' TYR . 88.0 t80 -90.05 27.14 1.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 111.0 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.609 HD13 ' C ' ' A' ' 36' ' ' LEU . 2.6 tm? -80.33 -49.11 11.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -89.95 -9.38 49.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.6 -21.26 28.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.338 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.625 ' CE1' HD21 ' A' ' 46' ' ' LEU . 5.5 t-160 -50.02 125.17 18.03 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 0.0 109.607 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.568 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.3 Cg_endo -74.94 -28.59 9.16 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.437 1.756 . . . . 0.0 111.081 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.46 -66.76 2.22 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.461 1.101 . . . . 0.0 111.066 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -173.99 146.54 8.79 Favored Glycine 0 CA--C 1.531 1.062 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.521 ' HA ' HD12 ' A' ' 46' ' ' LEU . 11.2 pt-20 -85.89 -29.91 23.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 0.766 . . . . 0.0 110.29 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.527 ' O ' ' N ' ' A' ' 48' ' ' GLU . 0.4 OUTLIER -73.75 -54.99 6.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.234 -179.911 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.539 HG22 ' CAC' ' A' ' 95' ' ' HEM . 0.2 OUTLIER -39.86 -29.45 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.625 HD21 ' CE1' ' A' ' 39' ' ' HIS . 2.0 mt -84.14 -63.54 1.33 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.632 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 1.1 mtm105 -57.2 -56.58 20.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.328 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.527 ' N ' ' O ' ' A' ' 44' ' ' GLU . 17.5 tp10 -33.27 -45.53 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.555 ' HG3' ' HB2' ' A' ' 54' ' ' ALA . 24.9 pt20 -130.73 47.4 2.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.32 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.632 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -68.5 -89.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.442 ' O ' ' HB ' ' A' ' 12' ' ' ILE . . . -42.61 -32.13 1.23 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.553 1.158 . . . . 0.0 111.023 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.464 ' O ' HD12 ' A' ' 24' ' ' ILE . . . -60.16 -137.54 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -136.89 109.91 7.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 0.757 . . . . 0.0 109.356 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.555 ' HB2' ' HG3' ' A' ' 49' ' ' GLN . . . -112.58 27.33 9.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.3 m -55.17 -59.05 5.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.361 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -66.33 -41.37 89.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 110.263 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.445 ' O ' HG13 ' A' ' 61' ' ' VAL . 1.2 m-80 -64.92 -14.33 59.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.813 ' CD1' ' CE1' ' A' ' 63' ' ' HIS . 78.0 t80 -98.57 -39.99 8.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 110.987 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -80.53 -34.98 35.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -57.42 -43.69 84.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.361 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.984 HG11 HMD1 ' A' ' 95' ' ' HEM . 9.5 m -67.22 -17.58 22.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.517 1.135 . . . . 0.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 61.31 84.02 0.06 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.538 1.149 . . . . 0.0 111.022 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.813 ' CE1' ' CD1' ' A' ' 58' ' ' PHE . 31.6 m80 -70.89 140.0 50.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 0.772 . . . . 0.0 109.668 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.0 p -80.63 170.04 16.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.973 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -52.15 -43.44 64.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.393 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -43.71 -41.13 4.63 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.531 1.145 . . . . 0.0 109.253 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.71 -46.72 71.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.123 . . . . 0.0 109.327 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.12 -46.88 3.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.263 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.11 -54.41 38.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 110.298 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.465 ' O ' ' C ' ' A' ' 71' ' ' SER . 1.2 mp -56.34 -66.2 0.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.592 ' HB3' ' CE2' ' A' ' 30' ' ' TYR . 58.8 m -33.65 -57.93 0.43 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.962 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.7 ' O ' HG22 ' A' ' 75' ' ' ILE . 1.9 tttt -56.28 -51.0 69.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.1 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -58.76 -30.56 67.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.378 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.543 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 40.2 m-85 -100.06 39.55 1.33 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.512 1.132 . . . . 0.0 111.028 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.7 HG22 ' O ' ' A' ' 72' ' ' LYS . 6.1 tt -114.69 140.0 37.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.812 HD11 HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -123.1 -37.82 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 109.356 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.445 ' N ' HG12 ' A' ' 76' ' ' ILE . . . 175.68 -167.98 40.1 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.548 1.155 . . . . 0.0 110.967 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -116.22 169.92 8.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 0.749 . . . . 0.0 110.347 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.724 HD22 ' C ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -102.49 150.15 23.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.555 1.159 . . . . 0.0 109.31 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.527 ' O ' HD22 ' A' ' 79' ' ' LEU . 0.4 OUTLIER -47.6 113.29 2.5 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.612 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 -5.88 17.36 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.483 1.78 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -79.67 -32.87 41.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -100.09 -14.69 18.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.234 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.699 ' HB2' HD21 ' A' ' 79' ' ' LEU . 12.3 tpt180 -59.9 -34.99 73.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.333 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.1 t -81.34 -18.72 44.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.538 1.148 . . . . 0.0 110.004 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -92.59 35.36 1.03 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 4.2 tp -80.27 -39.97 19.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.611 1.194 . . . . 0.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 109.246 -179.98 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 95' ' ' HEM . . . . . 0.984 HMD1 HG11 ' A' ' 61' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.497 ' CG1' ' CE1' ' A' ' 6' ' ' TYR . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.415 ' CE ' ' HA ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -110.95 120.48 42.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.262 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.497 ' CE1' ' CG1' ' A' ' 4' ' ' VAL . 32.9 m-85 -100.96 113.82 27.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 111.068 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -101.57 160.0 14.81 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.524 1.14 . . . . 0.0 110.982 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.435 ' C ' ' N ' ' A' ' 10' ' ' GLU . 1.5 p -89.71 140.27 29.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.383 1.052 . . . . 0.0 110.401 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.644 HD12 ' HB3' ' A' ' 86' ' ' LYS . 1.3 pt? -47.23 -22.54 0.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.245 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.489 ' N ' HD23 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -63.2 -31.68 72.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.496 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.6 OUTLIER -62.45 -75.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.281 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.522 HG21 HG13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -33.31 -40.28 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.326 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 11' ' ' GLU . 5.1 mm100 -59.85 -70.42 0.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.345 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -54.12 -29.97 46.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.363 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.426 ' NE2' ' HG3' ' A' ' 11' ' ' GLU . 75.4 m-70 -89.76 46.98 1.41 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.135 . . . . 0.0 109.565 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -109.63 20.23 18.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -116.5 169.77 9.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.705 ' O ' HG23 ' A' ' 33' ' ' THR . 0.3 OUTLIER -57.85 -49.73 75.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.967 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.553 ' O ' HG21 ' A' ' 33' ' ' THR . 0.0 OUTLIER -44.37 -45.73 9.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 42.1 m -138.07 96.59 3.23 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.54 1.15 . . . . 0.0 110.081 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.557 HG21 HD23 ' A' ' 36' ' ' LEU . 2.4 m -103.17 110.0 21.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 110.369 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 11.1 m0 -116.79 157.53 25.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 107.974 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.622 HG21 ' HB3' ' A' ' 54' ' ' ALA . 3.9 p -156.09 122.77 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.249 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.522 HG13 HG21 ' A' ' 12' ' ' ILE . 40.4 mt -69.01 114.54 6.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.616 HD13 HG22 ' A' ' 23' ' ' VAL . 1.1 mp -123.65 115.89 22.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 40.03 55.63 2.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 109.596 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 56.93 53.06 8.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.526 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -170.04 106.2 0.33 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.582 1.176 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.756 HG23 HD11 ' A' ' 76' ' ' ILE . 10.0 m -66.69 139.54 20.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.782 ' CE1' HD13 ' A' ' 75' ' ' ILE . 4.7 m-30 -116.57 108.58 16.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 110.992 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -79.63 77.44 6.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.472 HD11 HD13 ' A' ' 46' ' ' LEU . 0.6 OUTLIER -92.54 40.15 1.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.122 . . . . 0.0 109.264 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.705 HG23 ' O ' ' A' ' 18' ' ' SER . 60.3 m -59.08 -51.15 71.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.11 . . . . 0.0 110.426 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.35 -40.37 81.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.371 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.568 ' CD2' ' O ' ' A' ' 35' ' ' TYR . 82.1 t80 -90.07 24.4 2.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.575 1.172 . . . . 0.0 110.995 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.6 HD13 ' C ' ' A' ' 36' ' ' LEU . 1.5 tm? -80.65 -49.08 11.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.234 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -89.93 -7.95 52.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.222 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -87.09 -23.36 24.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.586 1.179 . . . . 0.0 110.336 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.657 ' CE1' HD21 ' A' ' 46' ' ' LEU . 5.2 t-160 -49.92 126.43 19.36 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 109.585 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.594 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.3 Cg_endo -75.03 -29.81 7.78 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.465 1.771 . . . . 0.0 110.958 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.13 -67.77 1.91 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.535 1.147 . . . . 0.0 110.949 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.07 149.91 11.22 Favored Glycine 0 CA--C 1.531 1.077 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.477 ' HA ' HD12 ' A' ' 46' ' ' LEU . 9.4 pt-20 -87.72 -22.8 24.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 0.797 . . . . 0.0 110.255 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 48' ' ' GLU . 2.1 mt-10 -81.35 -54.46 5.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.265 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.479 HG22 ' CAC' ' A' ' 95' ' ' HEM . 0.2 OUTLIER -39.98 -29.18 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.657 HD21 ' CE1' ' A' ' 39' ' ' HIS . 1.3 mt -84.53 -60.73 1.98 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.596 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 23.9 mtm105 -58.62 -57.35 13.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.344 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 44' ' ' GLU . 23.7 tt0 -32.96 -45.3 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.336 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.448 ' HG3' ' HB2' ' A' ' 54' ' ' ALA . 8.9 pt20 -130.56 49.77 2.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.439 1.087 . . . . 0.0 110.247 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.596 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -70.74 -91.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 109.293 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.42 ' O ' ' HB ' ' A' ' 12' ' ' ILE . . . -40.11 -34.15 0.55 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.456 1.097 . . . . 0.0 110.937 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 51' ' ' GLY . . . -59.35 -143.67 0.01 OUTLIER Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -126.91 114.3 17.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 0.784 . . . . 0.0 109.252 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.622 ' HB3' HG21 ' A' ' 23' ' ' VAL . . . -115.93 25.28 10.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.7 m -57.9 -62.44 1.81 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.372 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -62.67 -39.32 93.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.59 1.181 . . . . 0.0 110.353 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.626 ' O ' HG13 ' A' ' 61' ' ' VAL . 1.8 m120 -64.42 -22.65 67.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.635 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.3 OUTLIER -88.69 -40.04 13.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 111.034 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -78.4 -35.97 46.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 110.256 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -56.25 -44.68 79.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.994 HG11 HMD1 ' A' ' 95' ' ' HEM . 5.9 m -69.23 -17.48 21.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 61.59 83.4 0.07 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.486 1.116 . . . . 0.0 110.958 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.495 ' CE1' ' CG2' ' A' ' 61' ' ' VAL . 38.1 m80 -71.28 140.02 50.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 0.751 . . . . 0.0 109.583 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 38.5 m -85.79 169.94 12.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.422 1.076 . . . . 0.0 109.98 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.478 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.1 m -48.13 -48.01 34.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 110.443 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.1 -38.32 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.2 -46.32 42.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 65' ' ' THR . 3.7 mtt-85 -46.28 -37.07 6.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 110.308 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -71.68 -54.51 10.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.16 . . . . 0.0 110.319 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.528 ' O ' ' N ' ' A' ' 73' ' ' THR . 0.4 OUTLIER -57.57 -62.53 1.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.344 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.601 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 3.2 p -39.31 -55.48 1.71 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 0.0 109.965 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.888 ' O ' HG22 ' A' ' 75' ' ' ILE . 0.3 OUTLIER -59.43 -36.28 75.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.385 1.053 . . . . 0.0 109.265 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.528 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -72.97 -29.79 63.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.383 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.535 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 36.3 m-85 -100.19 37.86 1.59 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 110.98 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.888 HG22 ' O ' ' A' ' 72' ' ' LYS . 8.4 tp -107.83 139.82 28.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.445 1.091 . . . . 0.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.756 HD11 HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -124.57 -33.86 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.09 . . . . 0.0 109.294 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.438 ' N ' HG12 ' A' ' 76' ' ' ILE . . . 170.51 -167.72 40.84 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -117.17 170.02 8.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 0.761 . . . . 0.0 110.228 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.718 HD22 ' C ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -101.57 148.99 24.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.351 179.931 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.621 ' O ' HD22 ' A' ' 79' ' ' LEU . 0.1 OUTLIER -44.2 117.46 2.82 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.596 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -7.8 19.51 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.497 1.788 . . . . 0.0 111.049 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -80.23 -39.22 29.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -100.09 28.34 4.95 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.485 1.116 . . . . 0.0 109.348 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.56 -2.84 18.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.259 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.3 m -93.18 46.99 1.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.99 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.644 ' HB3' HD12 ' A' ' 9' ' ' LEU . 0.5 OUTLIER -90.56 23.84 2.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.577 1.173 . . . . 0.0 109.239 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.4 HD12 ' HA ' ' A' ' 87' ' ' ILE . 4.9 tp -79.04 -25.14 12.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.548 1.155 . . . . 0.0 109.375 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.347 179.956 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 95' ' ' HEM . . . . . 0.994 HMD1 HG11 ' A' ' 61' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.551 ' CG1' ' CE1' ' A' ' 6' ' ' TYR . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.416 ' HA ' ' CE ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -111.44 120.76 43.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 0.0 109.241 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.551 ' CE1' ' CG1' ' A' ' 4' ' ' VAL . 29.9 m-85 -100.98 118.94 37.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -107.35 160.08 15.89 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.425 1.078 . . . . 0.0 110.952 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.9 p -90.47 146.33 24.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 110.428 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -51.42 -20.42 1.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -64.2 -34.6 78.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.575 1.172 . . . . 0.0 110.32 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.485 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.1 OUTLIER -60.09 -75.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 110.342 179.928 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.51 HD13 ' H ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -34.28 -44.61 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.42 1.075 . . . . 0.0 109.242 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -54.6 -63.49 1.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.108 . . . . 0.0 110.27 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.3 ptpm? -63.01 -24.37 67.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.273 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.423 ' C ' ' O ' ' A' ' 20' ' ' SER . 57.1 m-70 -94.62 44.38 1.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 109.643 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.83 28.92 8.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -129.4 169.81 14.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.688 ' O ' HG23 ' A' ' 33' ' ' THR . 1.0 OUTLIER -55.19 -49.53 71.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.477 1.11 . . . . 0.0 110.04 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.72 ' O ' HG21 ' A' ' 33' ' ' THR . 5.4 ttmt -42.63 -54.51 3.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 15' ' ' HIS . 4.7 m -133.1 90.39 2.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.013 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.734 HG21 HD23 ' A' ' 36' ' ' LEU . 1.6 m -96.39 111.38 23.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.427 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.402 ' O ' ' C ' ' A' ' 50' ' ' ALA . 10.6 m0 -118.75 159.45 23.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 108.039 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.616 ' CG2' ' HB3' ' A' ' 54' ' ' ALA . 8.2 p -154.98 121.72 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.49 HG13 HG21 ' A' ' 12' ' ' ILE . 24.3 mt -70.92 110.54 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.62 HD22 ' CD2' ' A' ' 30' ' ' TYR . 1.1 mp -118.49 124.93 48.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.525 ' CE1' ' HB3' ' A' ' 25' ' ' LEU . 0.0 OUTLIER 39.67 43.83 1.17 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 109.565 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.493 ' CD2' ' HD3' ' A' ' 84' ' ' ARG . 1.4 m80 67.04 49.61 1.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 109.559 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.494 ' HG2' ' CB ' ' A' ' 78' ' ' GLU . 4.2 mtmm -166.03 115.71 0.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.867 HG23 HD11 ' A' ' 76' ' ' ILE . 11.3 m -69.19 141.05 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.258 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.62 ' CD2' HD22 ' A' ' 25' ' ' LEU . 3.3 m-30 -117.87 107.58 14.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 111.031 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -76.49 82.61 3.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.514 HD22 ' HAB' ' A' ' 95' ' ' HEM . 0.9 OUTLIER -101.38 36.49 2.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.28 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.72 HG21 ' O ' ' A' ' 19' ' ' LYS . 16.4 m -60.0 -42.5 94.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 110.385 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.5 ttmm -74.11 -40.73 62.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.544 ' HB2' ' CZ ' ' A' ' 74' ' ' TYR . 91.9 t80 -89.97 17.59 6.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.62 1.2 . . . . 0.0 110.972 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.734 HD23 HG21 ' A' ' 21' ' ' THR . 1.8 tm? -71.86 -48.31 46.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.36 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -90.0 -7.58 53.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.321 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -86.76 -23.87 25.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.23 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.679 ' CE1' HD21 ' A' ' 46' ' ' LEU . 5.0 t-160 -49.93 126.48 19.44 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 109.62 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.591 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.2 Cg_endo -75.01 -28.3 9.26 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.507 1.793 . . . . 0.0 110.948 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.48 -68.76 1.55 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.456 1.097 . . . . 0.0 110.986 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.05 148.34 9.94 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.47 ' HA ' HD12 ' A' ' 46' ' ' LEU . 0.4 OUTLIER -85.58 -17.77 35.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.547 0.792 . . . . 0.0 110.302 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' A' ' 48' ' ' GLU . 5.4 tt0 -86.09 -53.8 4.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.367 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.452 HG22 ' CAC' ' A' ' 95' ' ' HEM . 0.2 OUTLIER -40.28 -28.9 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.679 HD21 ' CE1' ' A' ' 39' ' ' HIS . 0.8 OUTLIER -85.1 -61.81 1.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.503 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 24.0 mtm180 -56.12 -57.13 13.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 110.288 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 44' ' ' GLU . 2.9 tp10 -34.67 -44.66 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 110.254 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.503 ' HG3' ' HB2' ' A' ' 54' ' ' ALA . 5.1 pt20 -131.47 54.04 1.95 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.429 1.081 . . . . 0.0 110.294 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.503 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -77.39 -90.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.405 ' O ' ' HB ' ' A' ' 12' ' ' ILE . . . -40.18 -33.71 0.52 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.465 1.103 . . . . 0.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.49 -138.83 0.01 OUTLIER Glycine 0 CA--C 1.529 0.932 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -132.36 113.83 13.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.423 0.72 . . . . 0.0 109.339 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.616 ' HB3' ' CG2' ' A' ' 23' ' ' VAL . . . -115.17 24.59 11.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.42 1.075 . . . . 0.0 109.291 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.6 m -54.71 -61.4 2.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.435 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -63.9 -40.71 97.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.256 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.555 ' O ' HG13 ' A' ' 61' ' ' VAL . 17.1 m-80 -63.86 -17.91 63.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.637 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.4 OUTLIER -94.86 -40.02 9.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 110.965 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -78.65 -36.37 43.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.256 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -57.37 -44.01 84.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.965 HG11 HMD1 ' A' ' 95' ' ' HEM . 6.1 m -69.01 -16.3 20.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 59.03 84.97 0.04 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.481 1.113 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.473 ' CE1' ' CG2' ' A' ' 61' ' ' VAL . 29.3 m80 -70.15 139.98 52.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 0.777 . . . . 0.0 109.542 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 m -82.15 169.95 16.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.955 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -50.74 -46.57 59.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.408 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -41.62 -38.64 1.42 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.435 1.085 . . . . 0.0 109.244 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.68 -46.65 62.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.448 1.093 . . . . 0.0 109.325 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 65' ' ' THR . 0.0 OUTLIER -42.4 -42.96 3.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.443 1.089 . . . . 0.0 110.323 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.88 -53.89 23.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.422 1.076 . . . . 0.0 110.289 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.48 ' O ' ' C ' ' A' ' 71' ' ' SER . 1.2 mp -56.94 -65.37 0.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.348 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.618 ' HB3' ' CE2' ' A' ' 30' ' ' TYR . 53.3 m -32.36 -58.97 0.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.004 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.416 ' O ' HG22 ' A' ' 75' ' ' ILE . 0.7 OUTLIER -56.86 -50.78 71.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 109.342 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.475 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -56.9 -32.99 66.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.392 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.544 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 50.2 m-85 -99.47 40.65 1.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.157 . . . . 0.0 111.001 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.416 HD11 ' HD2' ' A' ' 28' ' ' LYS . 3.2 tt -115.43 139.92 39.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.365 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.867 HD11 HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -121.25 -38.26 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.457 ' N ' HG12 ' A' ' 76' ' ' ILE . . . 176.64 -162.82 31.53 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.461 1.101 . . . . 0.0 110.93 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.494 ' CB ' ' HG2' ' A' ' 28' ' ' LYS . 6.1 pt-20 -119.73 162.44 19.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 0.728 . . . . 0.0 110.406 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 1.087 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -94.83 144.22 25.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.533 ' N ' HD22 ' A' ' 79' ' ' LEU . 0.4 OUTLIER -39.04 118.57 1.13 Allowed Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.117 . . . . 0.0 109.616 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.456 ' O ' ' NE ' ' A' ' 84' ' ' ARG . 18.2 Cg_endo -75.02 -16.58 20.09 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.518 1.799 . . . . 0.0 110.931 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -80.08 -33.82 38.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 109.366 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -99.78 17.33 20.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.493 ' HD3' ' CD2' ' A' ' 27' ' ' HIS . 0.1 OUTLIER -77.34 -24.31 50.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.288 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -109.98 36.61 2.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.404 1.065 . . . . 0.0 109.977 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.4 tptp -98.13 38.61 1.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.411 HD12 ' HA ' ' A' ' 87' ' ' ILE . 2.9 tp -93.25 -45.28 13.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.971 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 95' ' ' HEM . . . . . 0.965 HMD1 HG11 ' A' ' 61' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.423 ' CG1' ' CE1' ' A' ' 6' ' ' TYR . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.575 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -111.86 122.46 47.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.423 ' CE1' ' CG1' ' A' ' 4' ' ' VAL . 30.5 m-85 -100.92 104.93 16.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 111.026 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.575 ' CE1' ' HB3' ' A' ' 5' ' ' LYS . 14.5 m-85 -91.36 149.67 21.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.574 1.171 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.409 ' C ' ' N ' ' A' ' 10' ' ' GLU . 1.2 p -79.78 142.22 35.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.376 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.415 ' O ' HG12 ' A' ' 12' ' ' ILE . 1.3 pt? -50.07 -20.35 0.95 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.226 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.409 ' N ' ' C ' ' A' ' 8' ' ' THR . 0.8 OUTLIER -62.07 -30.93 71.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.308 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.52 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -66.18 -75.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.313 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.52 ' C ' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -31.56 -42.37 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.334 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 11' ' ' GLU . 2.8 mm-40 -57.71 -73.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.332 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.43 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 1.8 ptpm? -48.56 -23.24 0.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.224 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.402 ' N ' ' C ' ' A' ' 13' ' ' GLN . 58.6 m-70 -92.23 49.99 1.58 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.53 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.5 mtmt -110.17 26.91 10.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 109.251 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -132.19 166.28 22.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.642 ' O ' HG23 ' A' ' 33' ' ' THR . 0.2 OUTLIER -54.7 -47.24 73.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 110.043 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.6 ' O ' HG21 ' A' ' 33' ' ' THR . 0.3 OUTLIER -40.07 -51.86 2.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.3 m -140.07 98.26 3.41 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.581 1.176 . . . . 0.0 109.968 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.581 HG21 ' CD2' ' A' ' 36' ' ' LEU . 0.4 OUTLIER -104.19 109.96 21.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.36 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.476 ' CD1' ' HA ' ' A' ' 31' ' ' ASP . 8.6 m0 -113.01 158.42 20.3 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.524 1.14 . . . . 0.0 107.943 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.52 ' CG2' ' HB3' ' A' ' 54' ' ' ALA . 10.6 p -155.13 121.2 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 0.0 109.339 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.444 HG13 HG21 ' A' ' 12' ' ' ILE . 39.3 mt -70.18 110.42 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.579 HD22 ' CD2' ' A' ' 30' ' ' TYR . 0.9 OUTLIER -119.45 119.24 33.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.387 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.46 ' NE2' ' CD ' ' A' ' 59' ' ' GLU . 16.9 m80 39.81 55.91 2.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.611 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 54.76 51.15 14.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.61 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.439 ' HD2' HD11 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -167.65 101.71 0.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.781 HG23 HD11 ' A' ' 76' ' ' ILE . 5.5 m -60.96 141.46 17.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.849 ' CE1' HD13 ' A' ' 75' ' ' ILE . 3.7 m-30 -116.84 104.46 11.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 111.029 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.476 ' HA ' ' CD1' ' A' ' 22' ' ' TRP . 48.0 t0 -72.96 71.05 1.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.418 HD23 HG12 ' A' ' 23' ' ' VAL . 0.7 OUTLIER -89.45 42.83 1.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.271 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.642 HG23 ' O ' ' A' ' 18' ' ' SER . 65.5 m -64.5 -54.13 37.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.353 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.98 -39.57 95.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.532 ' HB2' ' CZ ' ' A' ' 74' ' ' TYR . 88.6 t80 -90.05 17.47 6.88 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.491 1.119 . . . . 0.0 111.033 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.584 HD13 ' C ' ' A' ' 36' ' ' LEU . 2.6 tm? -72.32 -50.03 30.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -89.46 -8.21 53.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.281 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -85.67 -24.25 27.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.266 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.659 ' CE1' HD21 ' A' ' 46' ' ' LEU . 5.4 t-160 -49.8 126.15 18.28 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.481 1.113 . . . . 0.0 109.656 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.592 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.5 Cg_endo -75.02 -30.45 7.12 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.492 1.785 . . . . 0.0 111.001 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.67 -66.77 2.32 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.523 1.139 . . . . 0.0 110.949 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.07 153.89 18.04 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.428 ' HA ' HD12 ' A' ' 46' ' ' LEU . 15.2 pt-20 -90.47 -25.7 20.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 0.734 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' A' ' 48' ' ' GLU . 10.5 tt0 -79.49 -52.82 7.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.323 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.486 HG22 ' CAC' ' A' ' 95' ' ' HEM . 0.2 OUTLIER -39.94 -29.49 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.659 HD21 ' CE1' ' A' ' 39' ' ' HIS . 0.6 OUTLIER -87.17 -52.86 5.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.36 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.599 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 1.7 mtp85 -62.63 -60.01 4.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 44' ' ' GLU . 0.3 OUTLIER -34.08 -44.57 0.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.429 1.08 . . . . 0.0 110.285 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.501 HE22 ' CG ' ' A' ' 57' ' ' ASN . 26.3 pt20 -128.83 48.74 2.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 110.29 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.599 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -73.01 -91.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.422 ' CA ' ' HB ' ' A' ' 12' ' ' ILE . . . -42.23 -32.41 1.11 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.5 -137.24 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -135.09 114.95 12.91 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.499 0.764 . . . . 0.0 109.268 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.52 ' HB3' ' CG2' ' A' ' 23' ' ' VAL . . . -113.95 26.14 10.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.258 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.411 ' O ' ' HB3' ' A' ' 58' ' ' PHE . 28.8 m -50.04 -72.06 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.396 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.491 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 9.9 mt-10 -60.76 -36.49 79.08 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.568 1.168 . . . . 0.0 110.285 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.501 ' CG ' HE22 ' A' ' 49' ' ' GLN . 2.6 m-80 -65.97 -16.19 63.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.804 ' CD1' ' CE1' ' A' ' 63' ' ' HIS . 71.5 t80 -99.38 -40.05 8.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.994 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.46 ' CD ' ' NE2' ' A' ' 26' ' ' HIS . 2.6 mm-40 -80.98 -30.42 35.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.368 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 40.3 t0 -58.87 -44.15 91.04 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 1.041 HG11 HMD1 ' A' ' 95' ' ' HEM . 5.7 m -69.12 -15.26 19.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 59.62 84.18 0.05 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.454 1.096 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.804 ' CE1' ' CD1' ' A' ' 58' ' ' PHE . 35.7 m80 -70.75 140.17 51.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 109.573 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 68.1 m -82.2 169.94 16.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.94 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -50.07 -47.37 53.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.404 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 65' ' ' THR . 0.5 OUTLIER -40.4 -41.4 1.38 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.97 -46.92 66.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 65' ' ' THR . 43.4 ttt85 -42.95 -40.22 2.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.345 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.7 -49.96 48.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.582 1.176 . . . . 0.0 110.347 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 73' ' ' THR . 0.4 OUTLIER -60.58 -65.03 0.75 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.397 1.061 . . . . 0.0 109.287 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.59 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 2.3 p -37.19 -54.82 1.01 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.033 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.872 ' O ' HG22 ' A' ' 75' ' ' ILE . 10.6 tptt -60.3 -42.36 95.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.347 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.504 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -66.34 -30.11 70.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.615 1.197 . . . . 0.0 110.356 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.532 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 36.8 m-85 -100.11 38.4 1.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 111.062 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.872 HG22 ' O ' ' A' ' 72' ' ' LYS . 8.0 tp -108.45 139.85 29.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.222 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.781 HD11 HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -126.82 -34.98 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.446 1.091 . . . . 0.0 109.354 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.442 ' N ' HG12 ' A' ' 76' ' ' ILE . . . 167.85 -162.97 36.77 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.581 1.176 . . . . 0.0 111.032 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -121.06 170.0 9.95 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.558 0.799 . . . . 0.0 110.264 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.767 HD22 ' C ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -108.55 151.1 26.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.58 ' CD2' ' HB2' ' A' ' 82' ' ' ASP . 4.3 t-160 -38.42 103.12 0.26 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.664 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.425 ' HA ' ' HG3' ' A' ' 84' ' ' ARG . 18.3 Cg_endo -74.94 -0.69 10.25 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.469 1.773 . . . . 0.0 110.961 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.58 ' HB2' ' CD2' ' A' ' 80' ' ' HIS . 6.4 t0 -79.4 -33.95 42.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.554 1.159 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -98.64 2.75 47.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.425 ' HG3' ' HA ' ' A' ' 81' ' ' PRO . 0.0 OUTLIER -60.71 -14.97 24.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 110.298 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.7 t -85.36 -36.81 20.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.962 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.0 mttp -91.1 16.83 8.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 109.327 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -76.25 -38.26 33.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.348 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 -179.991 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 95' ' ' HEM . . . . . 1.041 HMD1 HG11 ' A' ' 61' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.494 ' CG1' ' CE1' ' A' ' 6' ' ' TYR . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.501 ' HA ' ' CE ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -115.4 121.43 42.75 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.495 1.122 . . . . 0.0 109.231 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.494 ' CE1' ' CG1' ' A' ' 4' ' ' VAL . 33.0 m-85 -100.79 118.67 37.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 111.026 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -109.24 152.29 25.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.943 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.4 p -80.64 151.46 28.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.352 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.71 -16.89 12.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.103 . . . . 0.0 109.323 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -68.27 -36.14 78.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.355 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.486 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -57.77 -74.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 110.292 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.486 ' C ' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -33.78 -46.87 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -53.17 -69.14 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 110.295 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 0.9 OUTLIER -56.23 -18.8 11.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.445 1.091 . . . . 0.0 109.326 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.407 ' NE2' ' HG3' ' A' ' 11' ' ' GLU . 75.3 m-70 -99.56 43.39 1.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.536 1.148 . . . . 0.0 109.597 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.446 ' HG3' ' HB3' ' A' ' 50' ' ' ALA . 8.4 ttpp -109.6 29.26 7.75 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.469 1.106 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -126.83 161.19 28.82 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.595 ' O ' HG23 ' A' ' 33' ' ' THR . 14.1 m -49.63 -48.02 49.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.54 1.15 . . . . 0.0 109.956 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.708 ' O ' HG21 ' A' ' 33' ' ' THR . 0.0 OUTLIER -40.96 -54.43 2.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.5 m -139.96 98.22 3.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.565 1.166 . . . . 0.0 109.932 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.1 m -103.3 112.66 25.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.379 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.422 ' O ' ' C ' ' A' ' 50' ' ' ALA . 13.3 m0 -110.72 163.55 13.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 108.023 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.725 ' CG2' ' HB3' ' A' ' 54' ' ' ALA . 5.4 p -159.71 115.27 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.406 HD12 ' O ' ' A' ' 52' ' ' GLY . 7.8 mt -65.34 110.95 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.355 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.678 HD13 HG22 ' A' ' 23' ' ' VAL . 1.1 mp -117.58 118.65 32.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.468 ' CE1' ' HB3' ' A' ' 25' ' ' LEU . 0.1 OUTLIER 39.7 53.83 2.5 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.54 1.15 . . . . 0.0 109.58 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.488 ' O ' ' CG ' ' A' ' 28' ' ' LYS . 1.3 m-70 59.46 51.83 6.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.64 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.617 ' HD2' HD11 ' A' ' 75' ' ' ILE . 1.9 mtmm -169.4 109.22 0.44 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 0.0 109.253 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.803 HG23 HD11 ' A' ' 76' ' ' ILE . 10.1 m -68.88 140.48 18.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.608 ' CD2' HD22 ' A' ' 25' ' ' LEU . 4.3 m-30 -116.92 108.74 16.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -76.79 70.62 3.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.449 HD22 ' HAB' ' A' ' 95' ' ' HEM . 0.6 OUTLIER -89.78 42.66 1.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.708 HG21 ' O ' ' A' ' 19' ' ' LYS . 97.7 m -62.95 -53.0 60.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.16 . . . . 0.0 110.454 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -39.8 93.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.528 ' HB2' ' CZ ' ' A' ' 74' ' ' TYR . 86.7 t80 -89.62 18.49 5.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.617 HD13 ' C ' ' A' ' 36' ' ' LEU . 2.5 tm? -73.92 -49.71 23.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.93 -8.29 52.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.326 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -86.07 -22.48 27.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.257 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.626 ' CE1' HD21 ' A' ' 46' ' ' LEU . 5.4 t-160 -49.85 126.25 18.69 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.596 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.594 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.0 Cg_endo -75.08 -30.07 7.44 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.595 1.839 . . . . 0.0 110.916 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.07 -68.11 1.78 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.439 1.087 . . . . 0.0 110.966 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.03 147.8 9.58 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.525 ' HA ' HD12 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -85.54 -25.94 26.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 0.745 . . . . 0.0 110.33 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 48' ' ' GLU . 6.5 mm-40 -77.17 -54.67 6.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 110.298 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.583 HG22 ' CAC' ' A' ' 95' ' ' HEM . 0.2 OUTLIER -39.97 -29.24 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.348 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.641 HD23 ' C2C' ' A' ' 95' ' ' HEM . 1.2 mt -84.79 -65.84 0.96 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.577 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -53.51 -54.92 30.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 110.284 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 44' ' ' GLU . 50.1 tt0 -35.8 -44.84 0.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.417 1.073 . . . . 0.0 110.269 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.432 ' HG3' ' HB2' ' A' ' 54' ' ' ALA . 18.5 pt20 -131.49 49.03 2.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.261 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.577 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -70.9 -93.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.353 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.433 ' CA ' ' HB ' ' A' ' 12' ' ' ILE . . . -39.16 -34.05 0.31 Allowed Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.571 1.17 . . . . 0.0 111.043 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 51' ' ' GLY . . . -59.64 -140.55 0.01 OUTLIER Glycine 0 CA--C 1.531 1.041 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -129.36 111.37 12.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.581 0.813 . . . . 0.0 109.274 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.725 ' HB3' ' CG2' ' A' ' 23' ' ' VAL . . . -113.57 25.38 11.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.8 m -57.14 -60.16 4.02 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.425 1.078 . . . . 0.0 110.422 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -63.33 -44.51 94.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.329 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.615 ' O ' HG13 ' A' ' 61' ' ' VAL . 1.6 m-80 -59.95 -19.9 54.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.643 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.4 OUTLIER -93.15 -39.8 10.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 111.005 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -77.86 -37.59 47.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 110.273 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -56.88 -43.63 81.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 1.005 HG11 HMD1 ' A' ' 95' ' ' HEM . 5.4 m -69.92 -16.8 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 58.92 85.4 0.04 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.514 1.134 . . . . 0.0 110.977 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.418 ' CE1' ' CG2' ' A' ' 61' ' ' VAL . 30.7 m80 -70.05 139.82 52.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 0.75 . . . . 0.0 109.644 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.2 p -83.29 168.96 16.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.059 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -50.38 -42.09 52.88 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 0.0 110.406 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -45.25 -40.34 7.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.63 -47.89 68.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.7 mmt-85 -48.46 -24.69 1.35 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 110.343 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -76.23 -55.45 5.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.284 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.527 ' N ' HD13 ' A' ' 70' ' ' LEU . 0.1 OUTLIER -66.35 -61.33 2.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.247 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.575 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -31.75 -55.9 0.28 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.436 1.085 . . . . 0.0 110.026 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.651 ' O ' HG22 ' A' ' 75' ' ' ILE . 0.5 OUTLIER -58.46 -53.18 61.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.293 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.475 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.7 OUTLIER -57.63 -29.33 64.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.399 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.528 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 45.7 m-85 -99.85 39.04 1.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 0.0 110.961 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.651 HG22 ' O ' ' A' ' 72' ' ' LYS . 7.3 tt -114.61 140.09 37.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.803 HD11 HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -123.75 -38.3 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.462 ' N ' HG12 ' A' ' 76' ' ' ILE . . . 176.15 -166.53 37.68 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.543 1.152 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -116.1 167.28 11.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 0.745 . . . . 0.0 110.279 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 1.103 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -99.07 141.4 31.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.216 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.548 ' N ' HD22 ' A' ' 79' ' ' LEU . 0.8 OUTLIER -38.75 112.83 0.72 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.638 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -0.31 9.83 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.491 1.785 . . . . 0.0 110.973 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -79.04 -43.22 24.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.361 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -93.77 -13.63 27.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.357 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.666 ' HG3' HD11 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -59.98 -36.62 77.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.3 t -89.78 11.39 20.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 109.947 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.24 26.17 6.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.59 HD13 ' O ' ' A' ' 84' ' ' ARG . 1.8 mp -99.71 -59.03 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.33 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.077 . . . . 0.0 109.394 179.935 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 95' ' ' HEM . . . . . 1.005 HMD1 HG11 ' A' ' 61' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.476 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 8.7 mmmm -115.0 123.34 48.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -100.74 116.18 32.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 111.012 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.476 ' CE1' ' HB3' ' A' ' 5' ' ' LYS . 6.3 m-85 -107.2 138.17 43.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 111.009 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.1 p -69.57 157.31 37.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.571 1.169 . . . . 0.0 110.36 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.511 ' HA ' HD11 ' A' ' 12' ' ' ILE . 1.3 pt? -58.55 -15.26 10.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.445 ' N ' HD23 ' A' ' 9' ' ' LEU . 0.5 OUTLIER -68.62 -39.81 80.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.327 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.54 ' CG ' ' NE2' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -54.93 -73.38 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.328 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.511 ' C ' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -30.71 -57.22 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -42.54 -57.7 2.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 110.339 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 11' ' ' GLU . 46.2 mmtt -52.17 -44.31 64.56 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.507 1.13 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.54 ' NE2' ' CG ' ' A' ' 11' ' ' GLU . 3.6 m-70 -79.34 59.09 2.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.087 . . . . 0.0 109.595 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -110.1 15.77 22.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -122.93 169.09 11.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.758 ' O ' HG23 ' A' ' 33' ' ' THR . 0.9 OUTLIER -58.75 -44.95 90.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.023 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.683 ' O ' HG21 ' A' ' 33' ' ' THR . 18.2 mttm -45.31 -45.39 12.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.6 m -139.96 100.1 3.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.971 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.417 HG21 HD23 ' A' ' 36' ' ' LEU . 1.5 m -109.27 110.0 21.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.39 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.421 ' CZ3' ' CD2' ' A' ' 7' ' ' TYR . 8.2 m0 -115.12 159.66 20.61 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.566 1.166 . . . . 0.0 107.995 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.662 HG22 HD13 ' A' ' 25' ' ' LEU . 3.9 p -158.64 120.67 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.325 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.521 HD12 ' O ' ' A' ' 52' ' ' GLY . 6.1 mt -69.38 115.4 8.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.662 HD13 HG22 ' A' ' 23' ' ' VAL . 1.7 mp -122.27 115.21 21.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.364 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.563 ' O ' ' CG ' ' A' ' 27' ' ' HIS . 14.3 p-80 39.2 60.53 1.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.167 . . . . 0.0 109.569 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.563 ' CG ' ' O ' ' A' ' 26' ' ' HIS . 32.6 p-80 52.98 51.7 15.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.624 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.538 ' CE ' HD11 ' A' ' 75' ' ' ILE . 1.1 mttp -169.41 100.62 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.802 HG23 HD11 ' A' ' 76' ' ' ILE . 5.7 m -63.95 141.99 17.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.658 ' CD2' HD22 ' A' ' 25' ' ' LEU . 4.5 m-30 -117.68 107.68 14.5 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.501 1.126 . . . . 0.0 110.965 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.403 ' HA ' ' CD1' ' A' ' 22' ' ' TRP . 10.9 t0 -76.95 79.11 3.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.438 HD22 ' HAB' ' A' ' 95' ' ' HEM . 0.6 OUTLIER -98.68 54.22 1.03 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 0.0 109.321 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.758 HG23 ' O ' ' A' ' 18' ' ' SER . 89.6 m -74.9 -45.57 41.79 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 110.433 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.14 -37.69 69.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.536 ' HB2' ' CZ ' ' A' ' 74' ' ' TYR . 91.7 t80 -88.91 14.93 9.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.529 HD21 ' HG3' ' A' ' 47' ' ' ARG . 1.7 tm? -69.91 -48.72 57.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.68 -7.96 53.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 110.335 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.33 -24.79 25.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 110.325 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.711 ' CE1' HD21 ' A' ' 46' ' ' LEU . 5.9 t-160 -50.25 125.19 19.11 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.567 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.55 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.5 Cg_endo -74.95 -28.33 9.36 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.474 1.776 . . . . 0.0 111.035 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.97 -68.61 1.6 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.511 1.132 . . . . 0.0 111.032 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.1 144.28 7.48 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.408 ' HA ' HD12 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -83.77 -9.59 58.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 0.746 . . . . 0.0 110.303 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.479 ' O ' ' N ' ' A' ' 48' ' ' GLU . 0.5 OUTLIER -94.8 -54.04 3.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 110.319 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.497 HG22 ' CAC' ' A' ' 95' ' ' HEM . 0.2 OUTLIER -39.97 -29.14 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.711 HD21 ' CE1' ' A' ' 39' ' ' HIS . 0.7 OUTLIER -82.95 -64.16 1.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 109.327 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.643 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 10.6 mtm180 -54.67 -55.37 30.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 44' ' ' GLU . 4.9 tt0 -34.05 -41.1 0.1 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 110.261 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.24 46.59 2.27 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 0.0 110.315 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.643 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -67.31 -93.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.423 ' CA ' ' HB ' ' A' ' 12' ' ' ILE . . . -40.04 -30.65 0.26 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.545 1.153 . . . . 0.0 111.018 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.521 ' O ' HD12 ' A' ' 24' ' ' ILE . . . -60.35 -138.18 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -134.29 110.86 9.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 0.791 . . . . 0.0 109.271 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.517 ' HB3' HG21 ' A' ' 23' ' ' VAL . . . -114.05 21.18 15.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.8 m -50.26 -58.61 5.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.419 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.521 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 5.7 mt-10 -69.46 -41.92 75.59 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.494 1.122 . . . . 0.0 110.264 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -64.31 -12.0 37.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.784 ' CD1' ' CE1' ' A' ' 63' ' ' HIS . 68.9 t80 -99.08 -49.33 4.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.988 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 60' ' ' ASP . 1.0 OUTLIER -75.86 -27.97 58.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.309 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.521 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 14.1 t0 -59.37 -46.13 89.5 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 1.008 HG11 HMD1 ' A' ' 95' ' ' HEM . 8.0 m -66.01 -18.17 23.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 66.53 84.4 0.09 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.461 1.1 . . . . 0.0 110.925 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.784 ' CE1' ' CD1' ' A' ' 58' ' ' PHE . 36.6 m80 -72.82 140.08 47.42 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 0.756 . . . . 0.0 109.554 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.56 169.75 14.1 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.528 1.142 . . . . 0.0 109.993 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 68' ' ' ARG . 0.9 OUTLIER -49.49 -45.19 46.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.339 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -42.05 -37.95 1.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.346 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -73.12 -45.71 55.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.232 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 65' ' ' THR . 1.0 OUTLIER -48.44 -25.83 1.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.09 . . . . 0.0 110.309 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.43 -52.89 7.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.327 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.492 ' O ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -64.52 -62.75 1.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.358 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.587 ' HB3' ' CE2' ' A' ' 30' ' ' TYR . 34.3 m -32.07 -54.5 0.3 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.947 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.679 ' O ' HG22 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -59.96 -53.91 52.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.46 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.7 OUTLIER -56.32 -29.6 61.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.355 -179.928 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.536 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 45.9 m-85 -100.12 37.21 1.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.679 HG22 ' O ' ' A' ' 72' ' ' LYS . 7.1 tt -112.62 140.58 31.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.802 HD11 HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -124.12 -38.38 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.459 ' N ' HG12 ' A' ' 76' ' ' ILE . . . 179.83 -157.67 20.7 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.484 1.115 . . . . 0.0 111.012 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.409 ' HA ' ' HA ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -125.29 160.3 29.62 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 0.769 . . . . 0.0 110.351 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 1.023 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -83.22 144.22 29.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.074 . . . . 0.0 109.272 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.611 ' CD2' ' HB3' ' A' ' 82' ' ' ASP . 4.7 t60 -37.39 117.78 0.82 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.6 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -13.18 21.43 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.562 1.822 . . . . 0.0 110.991 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.611 ' HB3' ' CD2' ' A' ' 80' ' ' HIS . 16.0 t0 -80.12 -27.84 39.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.58 1.175 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.519 ' OD2' ' CD2' ' A' ' 79' ' ' LEU . 0.3 OUTLIER -91.7 -30.55 16.23 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.446 1.091 . . . . 0.0 109.272 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.782 ' HG3' HD11 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -60.09 -26.86 66.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.586 1.178 . . . . 0.0 110.329 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.0 m -103.36 43.38 1.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 0.0 110.11 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -99.72 36.33 1.82 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -96.55 -52.66 9.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 179.984 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 95' ' ' HEM . . . . . 1.008 HMD1 HG11 ' A' ' 61' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.42 ' CG1' ' CE1' ' A' ' 6' ' ' TYR . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.464 ' HA ' ' CE ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -110.85 120.02 41.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.588 1.18 . . . . 0.0 109.28 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.42 ' CE1' ' CG1' ' A' ' 4' ' ' VAL . 29.4 m-85 -100.98 117.5 35.15 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.465 1.103 . . . . 0.0 111.022 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.456 ' CE1' ' HG3' ' A' ' 5' ' ' LYS . 13.7 m-85 -107.84 150.2 27.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.389 1.055 . . . . 0.0 111.041 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.409 ' C ' ' N ' ' A' ' 10' ' ' GLU . 2.2 p -84.75 146.93 27.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.395 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -49.38 -21.63 0.94 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.409 ' N ' ' C ' ' A' ' 8' ' ' THR . 3.0 mt-10 -61.93 -29.7 70.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 110.269 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.469 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -67.32 -75.05 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.296 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.511 HD13 ' H ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -35.28 -41.59 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -57.21 -77.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.416 ' HE3' ' NE2' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -50.29 -24.33 2.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 109.373 179.909 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.455 ' CD2' ' HG2' ' A' ' 11' ' ' GLU . 69.9 m-70 -94.22 44.53 1.12 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.603 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.464 ' HG3' ' HB3' ' A' ' 50' ' ' ALA . 15.8 ttpt -110.18 22.41 15.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -118.4 169.38 9.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.613 ' O ' HG23 ' A' ' 33' ' ' THR . 0.2 OUTLIER -56.58 -44.96 81.55 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.521 1.138 . . . . 0.0 110.003 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.662 ' O ' HG21 ' A' ' 33' ' ' THR . 0.0 OUTLIER -45.56 -51.94 11.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.5 m -135.44 96.33 3.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.049 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.702 HG21 HD23 ' A' ' 36' ' ' LEU . 1.4 m -98.45 109.87 22.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 110.402 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.44 ' CD1' ' HA ' ' A' ' 31' ' ' ASP . 12.7 m0 -118.16 157.03 27.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 108.009 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.67 HG22 HD13 ' A' ' 25' ' ' LEU . 3.4 p -156.04 125.25 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.587 ' O ' HD12 ' A' ' 25' ' ' LEU . 59.9 mt -68.34 116.34 8.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.67 HD13 HG22 ' A' ' 23' ' ' VAL . 2.4 mp -129.77 137.16 50.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 109.365 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.435 ' C ' ' O ' ' A' ' 25' ' ' LEU . 18.1 m80 37.64 36.32 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.587 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 70.0 48.2 0.55 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.598 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.552 ' CG ' ' O ' ' A' ' 25' ' ' LEU . 5.3 ptpp? -170.18 127.17 0.83 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.814 HG23 HD11 ' A' ' 76' ' ' ILE . 15.1 m -67.48 146.71 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.628 ' CD2' HD22 ' A' ' 25' ' ' LEU . 2.0 m-30 -120.26 96.85 5.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.962 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.44 ' HA ' ' CD1' ' A' ' 22' ' ' TRP . 22.5 t0 -64.73 78.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.439 HD23 ' O ' ' A' ' 30' ' ' TYR . 0.5 OUTLIER -102.33 41.68 1.21 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 109.329 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.662 HG21 ' O ' ' A' ' 19' ' ' LYS . 88.7 m -66.06 -46.87 76.24 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.479 1.112 . . . . 0.0 110.366 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.05 -43.05 79.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.565 ' HB2' ' CZ ' ' A' ' 74' ' ' TYR . 93.5 t80 -89.99 24.82 2.3 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 111.034 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.702 HD23 HG21 ' A' ' 21' ' ' THR . 1.3 tm? -76.68 -47.49 21.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -90.12 -11.66 40.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.289 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -82.08 -22.25 36.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.333 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.764 ' CE1' HD21 ' A' ' 46' ' ' LEU . 4.7 t-160 -49.94 126.57 19.65 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 109.601 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.583 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.4 Cg_endo -75.01 -29.58 8.05 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.532 1.806 . . . . 0.0 110.985 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.29 -67.01 2.15 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.545 1.153 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.06 144.18 7.43 Favored Glycine 0 CA--C 1.531 1.057 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.437 ' HA ' HD12 ' A' ' 46' ' ' LEU . 0.3 OUTLIER -84.53 -11.14 56.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.583 0.813 . . . . 0.0 110.294 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.474 ' O ' ' N ' ' A' ' 48' ' ' GLU . 1.0 OUTLIER -92.8 -53.38 4.19 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.488 1.118 . . . . 0.0 110.323 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.558 HG22 ' CAC' ' A' ' 95' ' ' HEM . 0.2 OUTLIER -41.02 -27.67 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.764 HD21 ' CE1' ' A' ' 39' ' ' HIS . 0.7 OUTLIER -84.97 -61.01 1.88 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.576 ' HG3' HD21 ' A' ' 36' ' ' LEU . 8.4 mtm180 -58.58 -57.16 14.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.294 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 44' ' ' GLU . 7.1 tt0 -34.02 -44.79 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 110.308 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.435 ' HG3' ' HB2' ' A' ' 54' ' ' ALA . 3.5 pt20 -132.15 51.83 2.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.537 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -73.87 -91.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.349 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -41.47 -31.02 0.59 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.555 1.159 . . . . 0.0 111.035 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.53 -137.55 0.01 OUTLIER Glycine 0 CA--C 1.53 0.969 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -132.98 110.98 10.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 0.737 . . . . 0.0 109.295 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.667 ' HB3' HG21 ' A' ' 23' ' ' VAL . . . -113.97 18.19 17.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.353 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.8 m -49.95 -61.52 2.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 110.425 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -66.63 -41.94 87.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 0.0 110.271 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -64.13 -13.56 48.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.814 ' CD1' ' CE1' ' A' ' 63' ' ' HIS . 72.6 t80 -99.1 -40.45 8.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 110.978 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -80.09 -33.75 38.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.616 1.197 . . . . 0.0 110.34 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -57.44 -43.78 84.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.975 HG11 HMD1 ' A' ' 95' ' ' HEM . 7.8 m -67.4 -15.19 19.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 59.11 84.9 0.04 OUTLIER Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.526 1.141 . . . . 0.0 110.972 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.814 ' CE1' ' CD1' ' A' ' 58' ' ' PHE . 34.4 m80 -71.9 140.16 49.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 0.765 . . . . 0.0 109.601 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 20.5 m -81.23 169.98 16.66 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.427 1.08 . . . . 0.0 109.979 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -50.44 -47.46 56.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 110.407 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -40.58 -40.62 1.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.48 -46.63 59.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.24 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 65' ' ' THR . 80.4 mtt-85 -44.14 -34.29 1.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.59 1.181 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -76.37 -56.24 4.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.335 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.557 ' O ' ' N ' ' A' ' 73' ' ' THR . 0.3 OUTLIER -53.31 -61.48 2.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.594 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 8.0 p -40.3 -57.63 1.7 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.105 . . . . 0.0 109.976 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.817 ' O ' HG22 ' A' ' 75' ' ' ILE . 3.8 tttm -58.74 -28.85 66.26 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.413 1.07 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.557 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -80.03 -30.01 39.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.419 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.565 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 34.8 m-85 -100.18 37.13 1.71 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.091 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.817 HG22 ' O ' ' A' ' 72' ' ' LYS . 9.8 tp -107.46 139.8 28.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.814 HD11 HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -123.63 -33.75 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.434 1.084 . . . . 0.0 109.291 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 173.31 -163.69 35.26 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.432 ' HA ' ' HA ' ' A' ' 28' ' ' LYS . 10.9 pt-20 -124.53 164.91 18.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 0.722 . . . . 0.0 110.303 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.728 HD22 ' C ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -98.32 147.52 24.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.535 ' O ' HD22 ' A' ' 79' ' ' LEU . 0.1 OUTLIER -43.65 114.44 1.74 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.597 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.413 ' HA ' ' HB2' ' A' ' 84' ' ' ARG . 18.2 Cg_endo -75.02 -5.1 16.35 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.422 1.749 . . . . 0.0 110.954 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -79.92 -33.1 40.07 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.447 1.092 . . . . 0.0 109.347 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -99.84 -17.06 17.83 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.532 1.145 . . . . 0.0 109.355 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.419 ' HG3' HD11 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -60.1 -17.56 40.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.308 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 48.7 m -107.55 53.65 0.68 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.502 1.126 . . . . 0.0 109.998 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.32 21.34 5.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.9 tp -71.19 -31.52 44.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.434 1.084 . . . . 0.0 109.312 179.957 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 95' ' ' HEM . . . . . 0.975 HMD1 HG11 ' A' ' 61' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.401 ' CG1' ' CE1' ' A' ' 6' ' ' TYR . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.574 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -112.96 122.69 48.4 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.535 1.147 . . . . 0.0 109.369 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.401 ' CE1' ' CG1' ' A' ' 4' ' ' VAL . 30.4 m-85 -100.46 122.36 43.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 111.013 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.574 ' CE1' ' HB3' ' A' ' 5' ' ' LYS . 9.6 m-85 -109.74 148.68 30.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 111.048 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.9 p -75.12 155.75 36.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.403 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.488 ' HA ' HD11 ' A' ' 12' ' ' ILE . 1.5 pt? -62.56 -14.43 42.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.155 . . . . 0.0 109.355 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.82 -35.66 77.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.589 1.181 . . . . 0.0 110.303 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.582 ' HG3' ' CE1' ' A' ' 15' ' ' HIS . 0.2 OUTLIER -59.32 -71.2 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.338 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.497 HD13 ' H ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -36.49 -47.58 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.349 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.423 ' C ' ' N ' ' A' ' 15' ' ' HIS . 6.4 mm-40 -54.82 -81.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.203 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.443 ' HE3' ' CE1' ' A' ' 15' ' ' HIS . 0.2 OUTLIER -45.01 -26.32 0.42 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.579 1.174 . . . . 0.0 109.307 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.582 ' CE1' ' HG3' ' A' ' 11' ' ' GLU . 38.7 m80 -95.13 45.49 1.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.08 . . . . 0.0 109.629 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -109.69 26.82 10.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -122.39 169.21 11.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.6 ' O ' HG23 ' A' ' 33' ' ' THR . 0.5 OUTLIER -56.02 -48.67 75.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.586 1.179 . . . . 0.0 110.021 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.565 ' O ' HG21 ' A' ' 33' ' ' THR . 0.6 OUTLIER -40.9 -51.84 3.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.427 1.079 . . . . 0.0 109.305 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.4 m -138.43 94.14 2.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.998 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.678 HG21 HD23 ' A' ' 36' ' ' LEU . 1.7 m -96.69 113.36 24.92 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.142 . . . . 0.0 110.431 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 9.2 m0 -118.38 156.97 28.03 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.66 HG21 ' HB3' ' A' ' 54' ' ' ALA . 3.2 p -158.29 116.59 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.461 HD12 ' O ' ' A' ' 52' ' ' GLY . 5.8 mt -64.07 112.71 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.171 . . . . 0.0 109.244 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.636 HD13 HG22 ' A' ' 23' ' ' VAL . 0.7 OUTLIER -120.31 120.59 36.48 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 39.97 54.4 2.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.581 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.425 ' CG ' HH11 ' A' ' 84' ' ' ARG . 6.7 m170 56.83 50.43 12.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.611 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.411 ' HG2' HD11 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -170.01 103.13 0.3 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.823 HG23 HD11 ' A' ' 76' ' ' ILE . 7.9 m -60.88 142.42 15.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.593 ' CE2' ' HB3' ' A' ' 71' ' ' SER . 3.6 m-30 -116.97 109.85 17.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.938 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -80.55 81.83 6.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.088 . . . . 0.0 109.32 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.54 HD22 ' HAB' ' A' ' 95' ' ' HEM . 0.7 OUTLIER -99.42 43.17 1.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.6 HG23 ' O ' ' A' ' 18' ' ' SER . 80.4 m -60.57 -48.22 82.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.427 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.97 -40.12 72.12 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.605 1.191 . . . . 0.0 109.317 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.586 ' CD2' ' O ' ' A' ' 35' ' ' TYR . 80.9 t80 -89.96 25.98 1.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 111.072 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.678 HD23 HG21 ' A' ' 21' ' ' THR . 1.7 tm? -82.0 -49.86 9.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.232 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -90.14 -6.89 54.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.27 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -87.63 -22.95 24.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.254 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.667 ' CE1' HD21 ' A' ' 46' ' ' LEU . 4.8 t-160 -50.05 126.76 20.59 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.564 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.597 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.4 Cg_endo -75.02 -28.74 8.87 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.512 1.796 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.47 -68.75 1.55 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.558 1.161 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.05 150.02 11.33 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.494 ' HA ' HD12 ' A' ' 46' ' ' LEU . 9.0 pt-20 -86.22 -27.08 24.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 0.771 . . . . 0.0 110.296 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.539 ' O ' ' N ' ' A' ' 48' ' ' GLU . 3.1 mt-10 -76.31 -54.73 6.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.425 1.078 . . . . 0.0 110.28 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.583 HG22 ' CAC' ' A' ' 95' ' ' HEM . 0.2 OUTLIER -39.88 -28.98 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.667 HD21 ' CE1' ' A' ' 39' ' ' HIS . 1.2 mt -86.01 -57.85 2.87 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.536 1.148 . . . . 0.0 109.327 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.547 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 27.0 mtm180 -61.56 -57.87 10.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.414 1.071 . . . . 0.0 110.308 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.539 ' N ' ' O ' ' A' ' 44' ' ' GLU . 4.8 tt0 -33.52 -44.84 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 110.272 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -131.12 52.1 2.09 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.518 1.136 . . . . 0.0 110.327 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.547 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -74.37 -91.32 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.427 1.08 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.411 ' O ' ' HB ' ' A' ' 12' ' ' ILE . . . -39.77 -32.08 0.3 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.485 1.116 . . . . 0.0 110.974 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.461 ' O ' HD12 ' A' ' 24' ' ' ILE . . . -60.23 -138.8 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -133.87 110.99 10.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.527 0.781 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.66 ' HB3' HG21 ' A' ' 23' ' ' VAL . . . -110.18 28.56 8.5 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.515 1.134 . . . . 0.0 109.242 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.8 m -56.5 -69.64 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 110.355 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -60.65 -37.42 81.46 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.477 1.111 . . . . 0.0 110.333 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.6 ' O ' HG13 ' A' ' 61' ' ' VAL . 5.4 m-80 -62.55 -24.13 67.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.669 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.4 OUTLIER -90.84 -39.96 12.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 110.916 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -76.57 -35.38 58.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.437 1.085 . . . . 0.0 110.313 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -57.89 -43.36 86.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.08 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.999 HG11 HMD1 ' A' ' 95' ' ' HEM . 5.3 m -71.03 -15.38 18.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 58.79 85.1 0.04 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.509 1.131 . . . . 0.0 111.013 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.416 ' CE1' ' CG2' ' A' ' 61' ' ' VAL . 31.1 m80 -70.03 139.84 52.75 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.495 0.762 . . . . 0.0 109.534 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -81.7 170.01 16.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.008 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -50.74 -47.65 59.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.465 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -41.54 -40.1 1.76 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 109.244 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.67 -48.34 69.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.359 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 65' ' ' THR . 11.9 mtt-85 -45.89 -34.45 3.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.274 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -71.43 -56.1 6.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.329 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.476 ' O ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -58.96 -62.41 1.9 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.553 1.158 . . . . 0.0 109.335 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.593 ' HB3' ' CE2' ' A' ' 30' ' ' TYR . 58.8 m -32.86 -58.86 0.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.971 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.597 ' O ' HG22 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -55.85 -51.28 68.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 0.0 109.299 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.463 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -57.7 -32.64 67.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.132 . . . . 0.0 110.468 179.932 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.534 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 51.1 m-85 -99.86 41.81 1.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.977 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.597 HG22 ' O ' ' A' ' 72' ' ' LYS . 5.1 tt -116.7 139.88 41.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.551 1.157 . . . . 0.0 109.333 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.823 HD11 HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -123.03 -38.07 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.46 ' N ' HG12 ' A' ' 76' ' ' ILE . . . 173.78 -164.06 35.41 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.501 1.126 . . . . 0.0 111.042 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -120.49 163.96 17.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 0.78 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 1.092 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -91.79 148.38 22.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.335 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.51 ' N ' HD22 ' A' ' 79' ' ' LEU . 0.3 OUTLIER -42.02 115.45 1.52 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.57 1.169 . . . . 0.0 109.638 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.587 ' HA ' ' CD ' ' A' ' 84' ' ' ARG . 18.4 Cg_endo -75.05 -3.08 13.4 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.598 1.841 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -80.56 -39.62 27.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 109.324 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -99.77 -10.73 21.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.587 ' CD ' ' HA ' ' A' ' 81' ' ' PRO . 3.1 ptt180 -60.53 -29.19 68.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 0.0 110.302 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.78 46.21 1.03 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.569 1.168 . . . . 0.0 109.998 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.7 33.95 2.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.371 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.8 mp -99.69 -58.42 3.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.422 0 O-C-N 124.492 1.12 . . . . 0.0 109.358 179.95 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 95' ' ' HEM . . . . . 0.999 HMD1 HG11 ' A' ' 61' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.575 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -116.71 125.2 51.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.412 1.07 . . . . 0.0 109.313 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -100.83 114.08 27.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 0.0 111.048 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.575 ' CE1' ' HB3' ' A' ' 5' ' ' LYS . 16.4 m-85 -104.69 151.0 24.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.105 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.9 p -78.43 149.38 33.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 110.381 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.714 ' HB2' HD11 ' A' ' 87' ' ' ILE . 2.1 pt? -54.43 -16.33 2.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -69.15 -39.1 79.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.166 . . . . 0.0 110.329 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.455 ' HG3' ' CE1' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -52.52 -67.52 0.25 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 110.278 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.458 ' HB ' ' CA ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -43.94 -50.74 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.266 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -48.44 -76.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.432 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -50.93 -30.45 14.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.408 1.068 . . . . 0.0 109.263 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.455 ' CE1' ' HG3' ' A' ' 11' ' ' GLU . 37.4 m80 -90.42 44.4 1.2 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.513 1.133 . . . . 0.0 109.594 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.488 ' HG3' ' HB3' ' A' ' 50' ' ' ALA . 25.0 tttt -110.41 31.2 6.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.435 1.085 . . . . 0.0 109.347 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.75 168.72 15.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.108 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.626 ' O ' HG23 ' A' ' 33' ' ' THR . 0.1 OUTLIER -52.72 -51.02 62.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.039 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.535 ' O ' HG21 ' A' ' 33' ' ' THR . 2.4 tttt -40.33 -53.41 2.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.9 m -135.37 96.22 3.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.425 1.078 . . . . 0.0 110.038 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.844 HG21 HD23 ' A' ' 36' ' ' LEU . 1.9 m -99.0 113.37 25.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 110.489 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.442 ' O ' ' C ' ' A' ' 50' ' ' ALA . 10.2 m0 -119.54 159.34 24.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.557 1.16 . . . . 0.0 107.981 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.619 ' CG2' ' HB3' ' A' ' 54' ' ' ALA . 7.2 p -158.21 116.16 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.377 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.471 ' O ' HD12 ' A' ' 25' ' ' LEU . 9.9 mt -65.64 119.59 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.638 HD22 ' CD2' ' A' ' 30' ' ' TYR . 1.5 mp -126.59 117.57 23.07 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 10.3 p-80 39.17 56.48 2.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.58 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.3 m80 57.34 52.1 9.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.589 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.454 ' HE2' HD11 ' A' ' 75' ' ' ILE . 2.4 mttt -170.08 105.02 0.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.352 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.78 HG23 HD11 ' A' ' 76' ' ' ILE . 5.9 m -67.21 142.01 17.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 0.0 109.261 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.638 ' CD2' HD22 ' A' ' 25' ' ' LEU . 4.6 m-30 -117.31 110.74 18.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 110.992 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.421 ' HB2' HD12 ' A' ' 76' ' ' ILE . 51.7 t0 -81.18 79.73 7.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.591 HD22 ' HAB' ' A' ' 95' ' ' HEM . 0.7 OUTLIER -96.8 41.98 1.1 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 109.271 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.626 HG23 ' O ' ' A' ' 18' ' ' SER . 95.5 m -61.41 -46.03 91.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 0.0 110.394 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.13 -39.2 68.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.539 ' HB2' ' CZ ' ' A' ' 74' ' ' TYR . 90.0 t80 -90.12 16.18 8.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.959 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.844 HD23 HG21 ' A' ' 21' ' ' THR . 1.7 tm? -71.23 -49.89 38.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.63 -8.0 53.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.427 1.08 . . . . 0.0 110.293 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -86.03 -22.72 27.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 110.317 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.657 ' CE1' HD21 ' A' ' 46' ' ' LEU . 5.2 t-160 -49.87 125.53 17.88 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.615 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.57 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.5 Cg_endo -74.94 -31.44 6.31 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.43 1.753 . . . . 0.0 111.041 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.76 -67.57 1.99 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.493 1.121 . . . . 0.0 110.97 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.11 149.14 10.49 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.547 ' HA ' HD12 ' A' ' 46' ' ' LEU . 3.7 pt-20 -85.9 -34.78 20.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 0.75 . . . . 0.0 110.371 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.504 ' O ' ' N ' ' A' ' 48' ' ' GLU . 2.8 mm-40 -68.76 -54.04 18.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.574 HG22 ' CAC' ' A' ' 95' ' ' HEM . 0.2 OUTLIER -39.84 -29.68 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.592 1.182 . . . . 0.0 109.248 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.657 HD21 ' CE1' ' A' ' 39' ' ' HIS . 0.9 OUTLIER -85.9 -61.43 1.75 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.515 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -56.67 -56.74 17.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.314 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' A' ' 44' ' ' GLU . 4.2 tp10 -33.79 -45.44 0.19 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.546 1.154 . . . . 0.0 110.317 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.459 ' HG3' ' HB2' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -133.46 52.33 2.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 110.35 179.941 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.515 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -72.83 -89.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.458 ' CA ' ' HB ' ' A' ' 12' ' ' ILE . . . -41.49 -32.85 0.84 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.595 1.184 . . . . 0.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 51' ' ' GLY . . . -59.67 -139.88 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -131.42 110.13 10.81 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.484 0.755 . . . . 0.0 109.317 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.619 ' HB3' ' CG2' ' A' ' 23' ' ' VAL . . . -114.63 29.53 7.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 109.243 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.5 m -58.64 -60.34 3.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.401 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.415 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 2.5 mp0 -64.64 -40.49 95.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.296 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -65.54 -15.46 62.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.322 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.822 ' CD1' ' CE1' ' A' ' 63' ' ' HIS . 73.7 t80 -98.0 -40.75 8.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 111.041 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -79.99 -33.64 39.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 110.252 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.415 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 30.2 t70 -57.32 -45.52 84.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.955 HG11 HMD1 ' A' ' 95' ' ' HEM . 10.9 m -65.75 -18.64 24.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.42 1.075 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 63.12 83.07 0.08 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.822 ' CE1' ' CD1' ' A' ' 58' ' ' PHE . 35.7 m80 -70.74 138.91 50.92 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.44 0.729 . . . . 0.0 109.607 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.2 p -81.07 170.17 16.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.983 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -51.32 -42.81 61.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.118 . . . . 0.0 110.405 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -43.78 -40.64 4.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.357 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.3 -46.09 71.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.335 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -41.24 -48.35 3.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 110.319 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -61.97 -53.02 61.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 0.0 110.261 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.471 ' O ' ' C ' ' A' ' 71' ' ' SER . 2.4 mp -57.56 -67.18 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.596 1.185 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.608 ' HB3' ' CE2' ' A' ' 30' ' ' TYR . 26.1 m -33.12 -55.14 0.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 110.007 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.614 ' O ' HG22 ' A' ' 75' ' ' ILE . 0.1 OUTLIER -58.21 -52.65 64.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.587 1.179 . . . . 0.0 109.278 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.46 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.7 OUTLIER -57.17 -32.09 66.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.471 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.539 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 58.8 m-85 -100.04 42.04 1.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.975 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.614 HG22 ' O ' ' A' ' 72' ' ' LYS . 5.9 tt -116.46 140.26 39.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.425 1.078 . . . . 0.0 109.297 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.78 HD11 HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -123.13 -38.74 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.633 ' O ' HG22 ' A' ' 29' ' ' VAL . . . 172.64 -168.31 41.34 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.491 1.12 . . . . 0.0 110.991 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -114.58 170.11 8.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 0.768 . . . . 0.0 110.25 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.733 HD22 ' C ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -102.24 147.53 26.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.353 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.532 ' O ' HD22 ' A' ' 79' ' ' LEU . 0.3 OUTLIER -42.51 114.4 1.44 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.561 -179.929 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -1.85 11.77 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.529 1.805 . . . . 0.0 110.968 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -79.74 -35.79 38.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -100.14 -14.62 18.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.449 ' HG3' HD11 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -59.86 -36.26 76.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 110.315 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.7 t -66.97 -44.98 79.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.417 1.073 . . . . 0.0 109.967 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.5 mttt -92.36 28.08 2.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.714 HD11 ' HB2' ' A' ' 9' ' ' LEU . 5.3 tp -76.54 -32.35 21.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.482 1.114 . . . . 0.0 109.251 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.948 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 95' ' ' HEM . . . . . 0.955 HMD1 HG11 ' A' ' 61' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.494 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 9.2 mmmm -116.26 124.0 49.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.393 1.058 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -101.0 105.92 17.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.989 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.494 ' CE1' ' HB3' ' A' ' 5' ' ' LYS . 10.5 m-85 -95.51 147.93 23.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.2 p -77.86 147.99 34.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.344 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.415 ' O ' HG12 ' A' ' 12' ' ' ILE . 0.9 OUTLIER -52.32 -19.83 2.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.54 -34.63 78.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.145 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.484 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -59.74 -72.33 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.248 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.465 HD13 ' H ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -37.05 -41.55 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -59.93 -76.4 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 110.25 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.601 ' HD2' ' CE1' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -51.19 -21.4 2.01 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.601 ' CE1' ' HD2' ' A' ' 14' ' ' LYS . 73.4 m-70 -97.6 44.83 1.04 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.596 1.185 . . . . 0.0 109.652 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.7 tttt -110.04 34.74 3.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.257 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -129.85 168.55 16.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.245 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.621 ' O ' HG23 ' A' ' 33' ' ' THR . 0.1 OUTLIER -55.78 -45.9 78.05 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 0.0 110.05 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.483 ' O ' HG21 ' A' ' 33' ' ' THR . 0.0 OUTLIER -45.13 -51.97 9.75 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 109.367 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 m -137.08 96.08 3.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.992 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.403 HG21 HD23 ' A' ' 36' ' ' LEU . 1.4 m -100.74 112.64 25.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 110.363 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.407 ' CZ3' ' CD2' ' A' ' 7' ' ' TYR . 13.0 m0 -117.62 161.01 20.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 108.017 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.7 ' CG2' ' HB3' ' A' ' 54' ' ' ALA . 7.3 p -158.15 123.71 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.548 1.155 . . . . 0.0 109.324 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.48 HD12 ' O ' ' A' ' 52' ' ' GLY . 9.1 mt -70.2 113.25 5.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.081 . . . . 0.0 109.234 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.587 HD22 ' CD2' ' A' ' 30' ' ' TYR . 1.0 OUTLIER -123.03 115.74 22.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.329 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 41.37 57.44 2.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.604 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 55.36 52.92 10.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.642 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.463 ' HG2' HD11 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -170.09 112.63 0.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.09 . . . . 0.0 109.327 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.75 HG23 HD11 ' A' ' 76' ' ' ILE . 8.0 m -71.41 139.7 19.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.85 ' CE1' HD13 ' A' ' 75' ' ' ILE . 4.3 m-30 -116.18 109.96 18.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 111.01 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -80.08 76.05 6.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.469 ' O ' ' N ' ' A' ' 36' ' ' LEU . 0.9 OUTLIER -90.99 37.87 0.94 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.152 . . . . 0.0 109.295 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.621 HG23 ' O ' ' A' ' 18' ' ' SER . 93.4 m -57.51 -52.65 64.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.525 1.14 . . . . 0.0 110.433 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.36 -36.02 76.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.558 ' OH ' ' CHB' ' A' ' 95' ' ' HEM . 73.0 t80 -89.99 16.02 9.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.471 HD13 ' C ' ' A' ' 36' ' ' LEU . 2.1 tm? -74.96 -48.01 26.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.408 1.067 . . . . 0.0 109.255 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -90.12 -6.98 54.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 110.298 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.68 -25.86 23.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.623 ' CE1' HD21 ' A' ' 46' ' ' LEU . 5.2 t-160 -50.31 126.47 21.62 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.42 1.075 . . . . 0.0 109.599 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.573 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.3 Cg_endo -74.95 -29.19 8.58 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.527 1.804 . . . . 0.0 110.987 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.0 -68.3 1.71 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.475 1.109 . . . . 0.0 110.989 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.1 151.45 13.02 Favored Glycine 0 CA--C 1.529 0.92 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.43 ' HA ' HD12 ' A' ' 46' ' ' LEU . 3.4 pt-20 -88.41 -18.06 29.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.433 0.725 . . . . 0.0 110.305 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 48' ' ' GLU . 4.5 mm-40 -86.58 -54.38 4.43 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.501 1.125 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' A' ' 44' ' ' GLU . 0.2 OUTLIER -40.01 -29.16 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.638 HD23 ' C2C' ' A' ' 95' ' ' HEM . 1.4 mt -84.68 -63.95 1.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.259 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.619 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -55.1 -55.72 27.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.218 -179.909 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' A' ' 44' ' ' GLU . 4.9 tt0 -35.08 -44.01 0.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.222 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.47 ' HG3' ' HB2' ' A' ' 54' ' ' ALA . 5.3 pt20 -130.35 47.7 2.49 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 110.278 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.619 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -70.27 -93.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 52' ' ' GLY . . . -39.24 -32.06 0.21 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.564 1.165 . . . . 0.0 110.971 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.48 ' O ' HD12 ' A' ' 24' ' ' ILE . . . -59.85 -141.91 0.01 OUTLIER Glycine 0 CA--C 1.529 0.953 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.7 p-10 -129.08 112.45 14.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 0.734 . . . . 0.0 109.285 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.7 ' HB3' ' CG2' ' A' ' 23' ' ' VAL . . . -115.42 32.19 6.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 109.264 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.1 m -62.98 -63.59 1.16 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 110.355 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -63.7 -37.28 86.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.613 ' O ' HG13 ' A' ' 61' ' ' VAL . 2.5 m-80 -65.11 -22.4 66.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.61 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.5 OUTLIER -90.0 -40.0 12.6 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.571 1.169 . . . . 0.0 110.972 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -79.17 -35.46 41.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.13 . . . . 0.0 110.296 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -57.01 -44.88 83.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.958 HG11 HMD1 ' A' ' 95' ' ' HEM . 7.4 m -68.56 -17.95 22.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 61.55 83.83 0.06 OUTLIER Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.48 1.113 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.48 ' CE1' ' CG2' ' A' ' 61' ' ' VAL . 36.0 m80 -70.69 140.07 51.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 0.725 . . . . 0.0 109.564 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.07 169.86 17.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.022 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -51.43 -47.34 63.04 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.547 1.154 . . . . 0.0 110.43 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -41.05 -41.97 1.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.83 -47.3 69.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 65' ' ' THR . 1.0 OUTLIER -39.75 -43.61 1.44 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 110.322 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.79 -58.51 4.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.306 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.507 ' O ' ' N ' ' A' ' 73' ' ' THR . 0.2 OUTLIER -48.96 -63.93 0.95 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.259 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.586 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 2.6 p -39.93 -53.96 2.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.031 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.89 ' O ' HG22 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -61.72 -36.24 80.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.507 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -71.3 -31.09 67.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.441 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.554 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 40.1 m-85 -100.15 38.54 1.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 111.06 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.89 HG22 ' O ' ' A' ' 72' ' ' LYS . 9.8 tp -107.75 139.71 28.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.75 HD11 HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -125.15 -33.77 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.56 ' O ' HG22 ' A' ' 29' ' ' VAL . . . 165.56 -169.28 39.92 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.503 1.127 . . . . 0.0 110.963 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -115.08 168.52 9.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 0.737 . . . . 0.0 110.308 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.78 HD22 ' C ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -108.61 150.35 27.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.58 ' CE1' ' HB2' ' A' ' 82' ' ' ASP . 0.9 OUTLIER -32.41 105.28 0.24 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.548 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.13 -3.84 14.5 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.419 1.747 . . . . 0.0 110.909 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.58 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 1.9 t0 -80.22 -37.05 33.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 109.254 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.557 ' O ' ' HB2' ' A' ' 88' ' ' ALA . 0.6 OUTLIER -100.17 21.39 12.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.23 -0.1 33.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.243 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.3 m -107.62 -99.79 0.36 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.566 1.166 . . . . 0.0 110.028 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -100.21 -29.11 12.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 109.392 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.453 HG22 ' CG ' ' A' ' 83' ' ' ASP . 1.5 mp -65.83 -12.66 14.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.254 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.557 ' HB2' ' O ' ' A' ' 83' ' ' ASP . . . . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 109.35 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' HEM . . . . . 0.958 HMD1 HG11 ' A' ' 61' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.463 ' CG1' ' CE1' ' A' ' 6' ' ' TYR . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.455 ' HB3' ' CZ ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -110.2 120.13 41.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.588 1.18 . . . . 0.0 109.254 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.463 ' CE1' ' CG1' ' A' ' 4' ' ' VAL . 31.8 m-85 -100.23 109.07 21.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.135 . . . . 0.0 111.042 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.455 ' CZ ' ' HB3' ' A' ' 5' ' ' LYS . 29.4 m-85 -99.41 155.77 17.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 111.038 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.402 ' C ' ' N ' ' A' ' 10' ' ' GLU . 1.7 p -84.98 143.83 28.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.473 1.108 . . . . 0.0 110.41 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.412 ' O ' HG12 ' A' ' 12' ' ' ILE . 1.0 OUTLIER -49.14 -21.87 0.84 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.402 ' N ' ' C ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -63.77 -32.24 73.68 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.553 1.158 . . . . 0.0 110.295 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.508 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -61.78 -76.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 110.267 -179.908 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.508 ' C ' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -32.35 -42.51 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 0.0 109.289 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 11' ' ' GLU . 11.1 mm-40 -57.01 -74.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.282 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -51.61 -27.56 11.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.367 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.421 ' NE2' ' HG3' ' A' ' 11' ' ' GLU . 74.8 m-70 -93.26 46.78 1.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.63 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -110.0 28.59 8.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 109.284 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -126.1 169.76 12.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 0.0 109.336 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.576 ' O ' HG23 ' A' ' 33' ' ' THR . 3.5 m -54.7 -48.72 72.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.017 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.681 ' O ' HG21 ' A' ' 33' ' ' THR . 1.0 OUTLIER -42.16 -57.62 2.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.409 ' O ' ' O ' ' A' ' 15' ' ' HIS . 57.8 m -129.89 90.87 3.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.027 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.753 HG21 HD23 ' A' ' 36' ' ' LEU . 1.4 m -96.35 110.51 22.83 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.532 1.145 . . . . 0.0 110.422 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 15.6 m0 -117.78 160.05 22.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.137 . . . . 0.0 107.947 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.662 ' CG2' ' HB3' ' A' ' 54' ' ' ALA . 9.5 p -155.54 124.73 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.537 ' O ' HD12 ' A' ' 25' ' ' LEU . 20.6 mt -70.88 114.68 9.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.563 1.164 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.626 HD22 ' CD2' ' A' ' 30' ' ' TYR . 2.2 mp -126.75 133.76 50.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.429 ' C ' ' O ' ' A' ' 25' ' ' LEU . 45.2 m-70 37.72 38.25 0.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.58 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 38.9 m-70 70.13 51.51 0.4 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.62 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.555 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -170.12 132.09 1.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 109.307 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.777 HG23 HD11 ' A' ' 76' ' ' ILE . 16.4 m -76.35 142.88 13.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.626 ' CD2' HD22 ' A' ' 25' ' ' LEU . 2.4 m-30 -118.39 105.68 11.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 111.05 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -75.6 82.39 2.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.57 HD22 ' HAB' ' A' ' 95' ' ' HEM . 0.9 OUTLIER -102.04 35.39 2.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.681 HG21 ' O ' ' A' ' 19' ' ' LYS . 6.7 m -58.1 -44.23 87.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 110.325 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.1 ttmm -72.07 -41.15 67.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.52 ' HB2' ' CZ ' ' A' ' 74' ' ' TYR . 90.9 t80 -89.6 16.9 7.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 111.093 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.753 HD23 HG21 ' A' ' 21' ' ' THR . 2.1 tm? -72.45 -48.04 44.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -89.77 -8.11 52.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.573 1.171 . . . . 0.0 110.277 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.34 -22.99 24.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.426 1.079 . . . . 0.0 110.315 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.715 ' CE1' HD21 ' A' ' 46' ' ' LEU . 5.2 t-160 -49.93 126.22 19.11 Favored Pre-proline 0 C--N 1.326 -0.421 0 O-C-N 124.478 1.111 . . . . 0.0 109.589 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.584 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.0 Cg_endo -75.09 -29.75 7.76 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.493 1.786 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.15 -67.85 1.88 Allowed Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.566 1.166 . . . . 0.0 111.028 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.0 148.36 9.97 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.461 ' HA ' HD12 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -86.91 -17.6 32.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 0.772 . . . . 0.0 110.268 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 48' ' ' GLU . 0.3 OUTLIER -86.69 -54.41 4.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.426 1.079 . . . . 0.0 110.255 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.418 ' H ' HG12 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -39.93 -29.17 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 109.254 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.715 HD21 ' CE1' ' A' ' 39' ' ' HIS . 1.2 mt -83.68 -60.64 2.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.573 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 22.3 mtm180 -58.32 -57.27 13.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.439 1.087 . . . . 0.0 110.309 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 44' ' ' GLU . 4.9 tt0 -33.65 -44.99 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.333 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.448 ' HG3' ' HB2' ' A' ' 54' ' ' ALA . 3.3 pt20 -131.21 50.72 2.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.312 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.573 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -73.01 -88.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -43.83 -31.16 1.81 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.542 1.151 . . . . 0.0 111.006 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.471 ' O ' HD12 ' A' ' 24' ' ' ILE . . . -60.37 -137.95 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -132.73 110.02 10.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 0.778 . . . . 0.0 109.235 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.662 ' HB3' ' CG2' ' A' ' 23' ' ' VAL . . . -111.59 17.83 19.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.321 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.6 m -50.21 -60.8 2.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.375 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -66.27 -41.49 89.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.308 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.412 ' O ' HG13 ' A' ' 61' ' ' VAL . 2.0 m120 -65.42 -13.49 58.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.804 ' CD1' ' CE1' ' A' ' 63' ' ' HIS . 75.4 t80 -99.56 -40.01 8.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 111.044 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -81.49 -30.77 33.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.417 ' N ' ' HG3' ' A' ' 59' ' ' GLU . 30.3 t0 -61.09 -43.49 98.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.965 HG11 HMD1 ' A' ' 95' ' ' HEM . 7.1 m -67.81 -15.93 20.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 60.0 84.5 0.05 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.426 1.079 . . . . 0.0 111.034 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.804 ' CE1' ' CD1' ' A' ' 58' ' ' PHE . 35.7 m80 -71.58 140.07 49.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 0.775 . . . . 0.0 109.581 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 13.1 m -80.69 169.94 16.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.933 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -50.98 -47.25 61.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.403 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.34 -39.82 1.53 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.333 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.69 -47.28 66.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.611 1.194 . . . . 0.0 109.327 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 65' ' ' THR . 0.3 OUTLIER -42.29 -45.39 4.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.81 -51.49 61.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.477 ' O ' ' C ' ' A' ' 71' ' ' SER . 1.2 mp -58.77 -67.91 0.32 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.336 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.588 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 4.0 p -32.01 -57.8 0.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.974 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.812 ' O ' HG22 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -55.99 -52.99 62.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.329 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.47 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -57.62 -30.85 65.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 110.369 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.52 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 46.7 m-85 -99.95 39.9 1.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.986 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.812 HG22 ' O ' ' A' ' 72' ' ' LYS . 8.6 tt -117.06 140.65 38.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.777 HD11 HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -122.51 -38.55 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.556 1.16 . . . . 0.0 109.335 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.588 ' O ' HG22 ' A' ' 29' ' ' VAL . . . 174.36 -172.88 45.73 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.444 1.09 . . . . 0.0 111.001 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.417 ' HA ' ' HA ' ' A' ' 28' ' ' LYS . 0.7 OUTLIER -114.04 169.68 8.83 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.513 0.772 . . . . 0.0 110.369 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.666 HD22 ' C ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -103.78 153.25 20.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.612 ' O ' HD22 ' A' ' 79' ' ' LEU . 0.6 OUTLIER -39.4 111.69 0.7 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 109.577 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.41 ' O ' ' HG2' ' A' ' 84' ' ' ARG . 18.4 Cg_endo -74.98 -4.56 15.59 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.505 1.792 . . . . 0.0 111.022 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -80.3 -39.45 28.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 0.0 109.275 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.07 30.09 3.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.41 ' HG2' ' O ' ' A' ' 81' ' ' PRO . 3.3 ptm180 -77.54 -9.31 58.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 34.1 m -97.42 31.84 2.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 110.046 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.98 23.93 9.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 4.3 mt -94.98 -46.14 13.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.321 179.973 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 95' ' ' HEM . . . . . 0.965 HMD1 HG11 ' A' ' 61' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.592 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 0.4 OUTLIER -113.0 122.19 46.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.561 1.163 . . . . 0.0 109.262 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -100.96 102.1 13.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 111.005 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.592 ' CE1' ' HB3' ' A' ' 5' ' ' LYS . 17.5 m-85 -91.58 147.19 23.19 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 111.039 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.425 ' C ' ' N ' ' A' ' 10' ' ' GLU . 2.2 p -75.46 149.13 38.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 0.0 110.408 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.543 ' HA ' HD11 ' A' ' 12' ' ' ILE . 0.5 OUTLIER -54.07 -16.18 1.84 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.463 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -71.15 -42.56 69.0 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.483 1.115 . . . . 0.0 110.313 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.543 ' O ' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -48.21 -69.26 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 110.352 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.543 HD11 ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -34.98 -54.77 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.434 ' HB2' ' O ' ' A' ' 10' ' ' GLU . 26.3 mm-40 -49.11 -46.78 45.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 110.349 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.543 ' N ' ' O ' ' A' ' 11' ' ' GLU . 37.7 mmtt -60.62 -31.53 70.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.403 ' NE2' ' CG ' ' A' ' 11' ' ' GLU . 2.6 m-70 -94.36 59.61 2.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.099 . . . . 0.0 109.577 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -110.07 24.87 12.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.522 1.139 . . . . 0.0 109.35 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -135.09 168.27 19.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.777 ' O ' HG23 ' A' ' 33' ' ' THR . 2.9 t -56.94 -48.19 78.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.573 1.171 . . . . 0.0 110.004 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.556 ' O ' HG21 ' A' ' 33' ' ' THR . 0.3 OUTLIER -44.32 -44.68 8.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.8 p -139.08 98.76 3.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 110.052 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.64 HG21 HD23 ' A' ' 36' ' ' LEU . 2.4 m -109.7 112.69 24.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 110.381 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.418 ' O ' ' C ' ' A' ' 50' ' ' ALA . 9.1 m0 -119.33 157.68 27.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 0.0 108.0 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.525 ' CG2' ' HB3' ' A' ' 54' ' ' ALA . 13.7 p -154.53 120.75 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.367 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.477 HG13 HG21 ' A' ' 12' ' ' ILE . 23.4 mt -69.53 106.23 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.591 HD23 ' CE2' ' A' ' 30' ' ' TYR . 0.5 OUTLIER -115.88 120.59 39.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.571 ' O ' ' CG ' ' A' ' 27' ' ' HIS . 0.0 OUTLIER 40.1 60.62 1.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.611 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.571 ' CG ' ' O ' ' A' ' 26' ' ' HIS . 12.8 p80 50.65 48.41 22.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.585 1.178 . . . . 0.0 109.653 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' A' ' 27' ' ' HIS . 0.9 OUTLIER -166.01 107.74 0.74 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.421 1.076 . . . . 0.0 109.279 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.762 HG23 HD11 ' A' ' 76' ' ' ILE . 4.8 m -64.85 143.0 16.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.591 ' CE2' HD23 ' A' ' 25' ' ' LEU . 3.2 m-30 -117.72 110.93 18.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.408 ' HA ' ' CD1' ' A' ' 22' ' ' TRP . 17.6 t0 -77.73 78.58 4.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 109.244 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.404 HD22 ' HAB' ' A' ' 95' ' ' HEM . 1.0 OUTLIER -98.24 46.59 1.0 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.777 HG23 ' O ' ' A' ' 18' ' ' SER . 97.6 m -67.93 -49.9 59.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.568 1.167 . . . . 0.0 110.392 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.56 -35.74 73.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.565 ' HB2' ' CZ ' ' A' ' 74' ' ' TYR . 80.7 t80 -89.96 18.54 5.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 111.039 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.652 HD13 ' C ' ' A' ' 36' ' ' LEU . 1.7 tm? -77.2 -46.7 22.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -89.94 -7.44 54.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.26 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -88.56 -25.48 22.48 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.689 ' CE1' HD21 ' A' ' 46' ' ' LEU . 5.1 t-160 -50.07 123.04 15.35 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.575 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.432 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.5 Cg_endo -74.99 -31.72 5.99 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.533 1.807 . . . . 0.0 111.007 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.17 -64.52 3.84 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.466 1.104 . . . . 0.0 111.015 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.06 149.1 10.47 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.433 ' HA ' HD12 ' A' ' 46' ' ' LEU . 3.0 pt-20 -91.14 -19.24 23.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.415 0.715 . . . . 0.0 110.262 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 48' ' ' GLU . 2.2 tt0 -86.15 -53.88 4.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.445 ' H ' HG12 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -39.87 -29.32 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.689 HD21 ' CE1' ' A' ' 39' ' ' HIS . 1.6 mt -82.55 -58.05 3.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 109.264 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.611 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 5.9 mtt180 -60.63 -55.56 31.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.299 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 44' ' ' GLU . 13.2 tt0 -33.8 -46.07 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.252 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -131.31 47.75 2.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.334 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.611 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -67.99 -91.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.434 ' CA ' ' HB ' ' A' ' 12' ' ' ILE . . . -41.17 -31.18 0.5 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.398 1.061 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 51' ' ' GLY . . . -60.13 -137.48 0.01 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.598 0.822 . . . . 0.0 111.049 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.9 p-10 -135.76 113.25 10.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 0.76 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.525 ' HB3' ' CG2' ' A' ' 23' ' ' VAL . . . -112.75 26.23 10.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.42 1.075 . . . . 0.0 109.351 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.443 ' O ' ' HB3' ' A' ' 58' ' ' PHE . 16.9 m -50.15 -71.54 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 110.389 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.458 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 1.6 mm-40 -58.72 -43.58 90.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.27 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.612 ' O ' HG13 ' A' ' 61' ' ' VAL . 1.5 m-80 -55.92 -22.53 26.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.665 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.2 OUTLIER -93.45 -39.74 10.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -76.05 -35.2 59.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.364 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.458 ' HB2' ' O ' ' A' ' 56' ' ' GLU . 7.6 t0 -59.55 -44.17 93.33 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.471 1.107 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.953 HG11 HMD1 ' A' ' 95' ' ' HEM . 5.2 m -69.52 -16.0 20.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.474 1.109 . . . . 0.0 109.214 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 56.49 85.71 0.03 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.458 1.099 . . . . 0.0 111.02 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.49 ' CE1' ' CG2' ' A' ' 61' ' ' VAL . 32.2 m80 -69.92 139.68 52.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 0.783 . . . . 0.0 109.585 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 p -80.19 170.02 17.0 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.531 1.144 . . . . 0.0 109.962 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -52.16 -44.81 64.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.4 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.93 -41.21 3.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.621 1.2 . . . . 0.0 109.334 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.42 -44.36 78.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 65' ' ' THR . 0.0 OUTLIER -42.81 -42.95 3.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.272 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -68.22 -55.02 13.74 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.445 1.091 . . . . 0.0 110.314 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.462 ' O ' ' C ' ' A' ' 71' ' ' SER . 0.9 OUTLIER -54.24 -66.09 0.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.585 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 6.7 p -33.91 -56.34 0.47 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.1 . . . . 0.0 109.955 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.507 ' O ' HG22 ' A' ' 75' ' ' ILE . 2.2 mtmm -57.31 -51.51 69.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.234 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.7 OUTLIER -58.02 -32.02 67.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.424 1.078 . . . . 0.0 110.388 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.565 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 48.6 m-85 -100.12 41.02 1.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.507 HG22 ' O ' ' A' ' 72' ' ' LYS . 4.4 tt -116.13 140.08 39.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.762 HD11 HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -123.94 -38.24 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.276 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.536 ' O ' HG22 ' A' ' 29' ' ' VAL . . . 171.35 -169.4 42.46 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.53 1.144 . . . . 0.0 111.029 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -114.86 170.13 8.56 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.48 0.753 . . . . 0.0 110.343 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.737 HD22 ' C ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -102.79 149.34 24.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.338 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.619 ' O ' HD22 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -38.66 113.46 0.75 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.551 1.157 . . . . 0.0 109.561 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.404 ' HA ' ' HB2' ' A' ' 84' ' ' ARG . 18.4 Cg_endo -74.97 -0.7 10.27 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.489 1.784 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -76.8 -32.73 57.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.26 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -91.24 -30.88 16.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.468 ' HG3' HD11 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -59.81 -37.99 80.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.343 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 37.5 m -100.64 50.36 0.88 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.079 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 10.0 tttp -78.63 -20.47 50.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.246 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.417 HD13 ' HA ' ' A' ' 87' ' ' ILE . 26.1 mm -70.92 -49.82 47.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.376 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.247 179.978 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 95' ' ' HEM . . . . . 0.953 HMD1 HG11 ' A' ' 61' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.512 ' CG1' ' CE1' ' A' ' 6' ' ' TYR . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -108.44 119.98 41.08 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.512 ' CE1' ' CG1' ' A' ' 4' ' ' VAL . 29.9 m-85 -101.17 113.68 26.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 110.959 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.519 ' CZ ' ' HB3' ' A' ' 5' ' ' LYS . 20.6 m-85 -104.72 149.7 25.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 111.043 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.2 p -77.27 151.33 35.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 110.424 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.541 ' HB2' HD11 ' A' ' 87' ' ' ILE . 0.7 OUTLIER -57.34 -16.0 7.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.449 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -70.47 -42.84 70.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.483 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.1 OUTLIER -49.62 -70.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.485 HD11 ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -33.13 -57.86 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.579 1.174 . . . . 0.0 109.26 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.419 ' HB2' ' O ' ' A' ' 10' ' ' GLU . 5.8 mm100 -44.1 -52.47 7.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 11' ' ' GLU . 59.8 mmtt -56.39 -43.35 79.2 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.218 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.474 ' NE2' ' CG ' ' A' ' 11' ' ' GLU . 2.4 m-70 -78.57 56.55 1.83 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.553 1.158 . . . . 0.0 109.61 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -109.99 23.93 13.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -136.66 170.05 16.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.657 ' O ' HG23 ' A' ' 33' ' ' THR . 45.1 m -56.89 -48.64 77.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.003 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.561 ' O ' HG21 ' A' ' 33' ' ' THR . 3.8 mttt -41.68 -47.78 4.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.436 ' O ' ' CA ' ' A' ' 15' ' ' HIS . 23.8 m -139.97 100.77 4.01 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.47 1.106 . . . . 0.0 109.972 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.697 HG21 HD23 ' A' ' 36' ' ' LEU . 1.6 m -109.36 112.38 24.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.427 1.079 . . . . 0.0 110.423 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.433 ' O ' ' C ' ' A' ' 50' ' ' ALA . 12.6 m0 -117.81 159.6 22.77 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.507 HG22 HD13 ' A' ' 25' ' ' LEU . 5.4 p -160.07 120.13 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 109.212 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.634 ' O ' HD12 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -63.99 123.23 16.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.547 1.154 . . . . 0.0 109.33 179.937 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.634 HD12 ' O ' ' A' ' 24' ' ' ILE . 1.8 mp -135.06 114.65 12.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.386 1.054 . . . . 0.0 109.338 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.529 ' CE1' ' CE1' ' A' ' 58' ' ' PHE . 0.1 OUTLIER 42.81 51.9 5.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.614 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 59.2 m80 56.51 53.23 8.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.564 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.546 ' HE3' HD11 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -170.09 97.7 0.28 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.796 HG23 HD11 ' A' ' 76' ' ' ILE . 6.9 m -57.17 140.96 14.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 109.243 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.611 ' CD2' HD22 ' A' ' 25' ' ' LEU . 4.5 m-30 -116.48 106.47 13.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.117 . . . . 0.0 111.042 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -77.31 76.0 3.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 109.322 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' ' 36' ' ' LEU . 0.8 OUTLIER -91.34 41.64 1.07 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.153 . . . . 0.0 109.33 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.657 HG23 ' O ' ' A' ' 18' ' ' SER . 10.4 m -61.54 -49.57 76.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.404 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.6 ttmm -69.16 -39.44 78.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 0.0 109.302 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.54 ' HB2' ' CZ ' ' A' ' 74' ' ' TYR . 90.0 t80 -90.13 17.09 7.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 110.974 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.697 HD23 HG21 ' A' ' 21' ' ' THR . 1.7 tm? -71.34 -49.91 37.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -89.19 -9.01 52.47 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.505 1.128 . . . . 0.0 110.28 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.26 -23.83 30.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.331 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.722 ' CE1' HD21 ' A' ' 46' ' ' LEU . 4.7 t-160 -50.0 126.58 19.98 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.52 1.137 . . . . 0.0 109.661 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.582 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.2 Cg_endo -74.99 -29.91 7.74 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.503 1.791 . . . . 0.0 111.034 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.62 -68.24 1.73 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.51 1.131 . . . . 0.0 111.015 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.06 150.21 11.5 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.507 ' HA ' HD12 ' A' ' 46' ' ' LEU . 1.6 pt-20 -86.86 -23.42 25.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 0.776 . . . . 0.0 110.275 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 48' ' ' GLU . 1.3 tp10 -80.37 -54.36 5.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.294 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.435 HG22 ' CBC' ' A' ' 95' ' ' HEM . 0.2 OUTLIER -39.9 -29.57 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.157 . . . . 0.0 109.319 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.722 HD21 ' CE1' ' A' ' 39' ' ' HIS . 1.1 mt -84.04 -60.19 2.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.61 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 56.7 mtm180 -57.17 -57.16 13.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 110.257 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 44' ' ' GLU . 0.4 OUTLIER -33.91 -44.9 0.18 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.562 1.164 . . . . 0.0 110.314 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.627 ' HG3' ' HB2' ' A' ' 54' ' ' ALA . 0.5 OUTLIER -128.7 49.04 2.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.303 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.61 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -71.72 -94.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.454 ' O ' ' O ' ' A' ' 52' ' ' GLY . . . -34.85 -36.56 0.08 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.522 1.139 . . . . 0.0 111.055 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.454 ' O ' ' O ' ' A' ' 51' ' ' GLY . . . -58.3 -140.98 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.511 ' HA ' HG22 ' A' ' 24' ' ' ILE . 26.1 p-10 -138.1 113.33 9.34 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.478 0.752 . . . . 0.0 109.237 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.627 ' HB2' ' HG3' ' A' ' 49' ' ' GLN . . . -110.72 27.18 9.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.5 m -51.72 -61.49 2.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 110.377 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -63.36 -44.08 95.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 110.281 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.61 ' O ' HG13 ' A' ' 61' ' ' VAL . 2.4 m-80 -60.02 -21.05 60.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.65 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.3 OUTLIER -90.77 -39.94 12.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 111.055 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -77.28 -36.63 54.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.223 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -56.7 -44.57 81.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.976 HG11 HMD1 ' A' ' 95' ' ' HEM . 5.9 m -69.2 -16.11 20.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 58.4 85.13 0.04 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.567 1.167 . . . . 0.0 111.0 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.475 ' CE1' ' CG2' ' A' ' 61' ' ' VAL . 30.0 m80 -69.99 139.45 52.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 0.779 . . . . 0.0 109.623 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -80.82 169.93 16.94 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.426 1.079 . . . . 0.0 109.981 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -50.77 -47.49 59.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.329 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 65' ' ' THR . 0.2 OUTLIER -40.54 -42.14 1.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.35 -47.81 72.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.352 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 65' ' ' THR . 18.3 ttt180 -40.45 -47.44 2.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -63.7 -53.44 51.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.379 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.49 ' O ' ' C ' ' A' ' 71' ' ' SER . 2.3 mp -55.89 -67.61 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.603 ' HB3' ' CE2' ' A' ' 30' ' ' TYR . 46.8 m -31.59 -58.69 0.26 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 110.011 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.631 ' O ' HG22 ' A' ' 75' ' ' ILE . 0.1 OUTLIER -54.94 -53.69 52.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.582 1.176 . . . . 0.0 109.252 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.467 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.7 OUTLIER -56.62 -32.27 65.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.6 1.188 . . . . 0.0 110.386 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.54 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 56.1 m-85 -99.81 42.04 1.13 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.631 HG22 ' O ' ' A' ' 72' ' ' LYS . 6.2 tt -117.85 140.51 40.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.363 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.796 HD11 HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -124.11 -39.12 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.899 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.666 ' O ' HG22 ' A' ' 29' ' ' VAL . . . 174.03 -171.37 44.47 Favored Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.475 1.11 . . . . 0.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.428 ' OE1' HG11 ' A' ' 4' ' ' VAL . 8.0 pt-20 -112.04 170.04 8.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 0.787 . . . . 0.0 110.314 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 1.048 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -107.11 152.9 23.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.27 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.752 ' N ' HD22 ' A' ' 79' ' ' LEU . 0.4 OUTLIER -36.32 110.65 0.46 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.542 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.422 ' HA ' ' HB2' ' A' ' 84' ' ' ARG . 18.1 Cg_endo -75.0 -12.26 21.5 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.504 1.792 . . . . 0.0 111.018 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -80.02 -39.31 30.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.19 -11.4 58.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.587 1.179 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.422 ' HB2' ' HA ' ' A' ' 81' ' ' PRO . 0.8 OUTLIER -60.66 -32.33 71.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 110.294 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.1 t -62.5 -45.84 91.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 110.028 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.2 ttpt -95.66 38.51 1.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.541 HD11 ' HB2' ' A' ' 9' ' ' LEU . 2.9 tp -91.42 -33.92 5.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.585 1.178 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 -179.999 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 95' ' ' HEM . . . . . 0.976 HMD1 HG11 ' A' ' 61' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.56 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -112.72 121.56 45.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -99.86 105.97 17.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.56 ' CE1' ' HB3' ' A' ' 5' ' ' LYS . 17.8 m-85 -94.44 150.2 20.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.123 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.8 p -77.42 148.63 35.37 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.132 . . . . 0.0 110.386 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.404 ' O ' HG12 ' A' ' 12' ' ' ILE . 0.4 OUTLIER -54.16 -18.92 4.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 109.362 179.91 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.415 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 1.0 OUTLIER -71.89 -39.14 69.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.337 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.492 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -48.73 -71.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.573 1.171 . . . . 0.0 110.252 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.492 ' C ' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -33.41 -57.86 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.357 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -43.15 -52.91 5.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 110.333 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 11' ' ' GLU . 25.3 mmtt -52.97 -36.42 60.14 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.446 ' N ' ' O ' ' A' ' 12' ' ' ILE . 3.2 m-70 -91.77 59.45 3.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.632 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -109.27 14.88 23.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.34 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -122.2 169.9 10.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.698 ' O ' HG23 ' A' ' 33' ' ' THR . 0.3 OUTLIER -60.12 -44.12 95.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.988 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.706 ' O ' HG21 ' A' ' 33' ' ' THR . 0.0 OUTLIER -49.42 -42.43 42.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.426 1.079 . . . . 0.0 109.305 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 15' ' ' HIS . 27.6 m -137.74 97.03 3.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 110.074 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.74 HG21 HD23 ' A' ' 36' ' ' LEU . 1.5 m -109.12 114.14 27.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.389 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.457 ' CD1' ' HA ' ' A' ' 31' ' ' ASP . 8.4 m0 -119.19 160.82 21.43 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.604 1.19 . . . . 0.0 107.969 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.69 ' CG2' ' HB3' ' A' ' 54' ' ' ALA . 7.2 p -159.93 117.91 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.239 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.543 ' O ' HD12 ' A' ' 25' ' ' LEU . 15.6 mt -67.09 120.61 14.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.63 HD22 ' CD2' ' A' ' 30' ' ' TYR . 1.4 mp -128.82 123.3 32.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.571 ' CE1' ' HB3' ' A' ' 25' ' ' LEU . 0.1 OUTLIER 37.98 54.34 1.62 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.599 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 78.2 m-70 57.6 51.25 9.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.62 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.414 ' HG2' HD11 ' A' ' 75' ' ' ILE . 0.2 OUTLIER -169.97 110.2 0.41 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.86 HG23 HD11 ' A' ' 76' ' ' ILE . 9.1 m -68.06 142.14 16.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.369 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.63 ' CD2' HD22 ' A' ' 25' ' ' LEU . 4.7 m-30 -116.72 104.62 11.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 110.965 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.498 ' CG ' ' CG2' ' A' ' 76' ' ' ILE . 18.1 p-10 -72.92 76.38 1.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.507 HD11 HD13 ' A' ' 46' ' ' LEU . 0.5 OUTLIER -94.74 43.17 1.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.346 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.706 HG21 ' O ' ' A' ' 19' ' ' LYS . 77.5 m -65.93 -46.36 78.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.485 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -69.33 -42.44 75.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 109.256 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.543 ' HB2' ' CZ ' ' A' ' 74' ' ' TYR . 93.4 t80 -89.92 23.08 2.89 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.464 1.103 . . . . 0.0 111.077 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.74 HD23 HG21 ' A' ' 21' ' ' THR . 1.1 tm? -74.69 -47.95 28.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.418 ' N ' HD13 ' A' ' 36' ' ' LEU . 6.0 mt-10 -90.07 -9.44 48.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 0.0 110.348 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.455 ' HB3' ' CD1' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -84.18 -23.29 30.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.319 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.707 ' CE1' HD21 ' A' ' 46' ' ' LEU . 5.3 t-160 -50.33 125.94 20.8 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.632 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.579 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.2 Cg_endo -75.07 -29.35 8.21 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.489 1.784 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.9 -67.01 2.16 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.483 1.114 . . . . 0.0 110.994 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.1 149.47 10.8 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.465 ' HA ' HD12 ' A' ' 46' ' ' LEU . 2.3 pt-20 -87.97 -19.74 26.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 0.0 110.297 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.526 ' O ' ' N ' ' A' ' 48' ' ' GLU . 3.1 mm-40 -84.13 -54.01 5.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 110.271 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.547 HG22 ' CAC' ' A' ' 95' ' ' HEM . 0.2 OUTLIER -40.19 -28.48 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.707 HD21 ' CE1' ' A' ' 39' ' ' HIS . 0.8 OUTLIER -85.74 -60.14 2.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.6 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -59.41 -57.04 14.74 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.506 1.129 . . . . 0.0 110.27 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.526 ' N ' ' O ' ' A' ' 44' ' ' GLU . 3.6 tt0 -33.91 -45.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.36 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -131.47 48.22 2.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.432 1.082 . . . . 0.0 110.241 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.6 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -69.41 -94.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.232 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.458 ' CA ' ' HB ' ' A' ' 12' ' ' ILE . . . -36.67 -32.64 0.06 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.537 1.148 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 50' ' ' ALA . . . -60.09 -140.49 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -131.28 114.7 15.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 0.744 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.69 ' HB3' ' CG2' ' A' ' 23' ' ' VAL . . . -115.48 22.55 13.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.38 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.8 m -52.37 -61.37 2.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.418 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -64.75 -41.03 96.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.098 . . . . 0.0 110.278 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.546 ' O ' HG13 ' A' ' 61' ' ' VAL . 2.0 m120 -63.52 -16.96 62.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.624 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.3 OUTLIER -95.5 -40.16 9.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -78.73 -35.44 44.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.254 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -58.54 -43.5 89.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.954 HG11 HMD1 ' A' ' 95' ' ' HEM . 5.9 m -69.54 -17.1 21.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 59.28 85.22 0.04 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.578 1.174 . . . . 0.0 111.04 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.472 ' CE1' ' CG2' ' A' ' 61' ' ' VAL . 31.6 m80 -70.46 139.98 51.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 0.775 . . . . 0.0 109.575 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.29 169.99 17.01 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.528 1.143 . . . . 0.0 110.029 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.423 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -51.88 -46.11 64.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 110.373 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -42.05 -39.6 1.99 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 109.257 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.86 -47.42 65.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 65' ' ' THR . 2.1 tpp180 -40.31 -41.88 1.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 110.273 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -69.84 -56.74 6.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.319 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.462 ' O ' ' C ' ' A' ' 71' ' ' SER . 1.1 mp -52.43 -65.56 0.54 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.122 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.605 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 8.5 p -34.15 -56.91 0.49 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 109.945 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.56 ' O ' HG22 ' A' ' 75' ' ' ILE . 1.9 ttmt -56.33 -51.44 68.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.362 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -58.67 -31.98 68.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.379 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.543 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 47.9 m-85 -100.17 42.36 1.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 111.015 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.56 HG22 ' O ' ' A' ' 72' ' ' LYS . 5.0 tt -116.44 139.93 40.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.86 HD11 HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -122.61 -36.38 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.508 1.13 . . . . 0.0 109.34 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.407 ' N ' HG12 ' A' ' 76' ' ' ILE . . . 172.08 -166.05 38.83 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.395 1.059 . . . . 0.0 110.986 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 5' ' ' LYS . 3.0 pt-20 -119.15 168.38 10.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 0.76 . . . . 0.0 110.322 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.62 HD22 ' C ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -101.58 154.15 19.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.345 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.538 ' CE1' ' HB2' ' A' ' 82' ' ' ASP . 1.2 t-80 -46.19 107.41 0.68 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.563 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -2.3 12.37 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.446 1.761 . . . . 0.0 110.975 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.538 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 13.8 t0 -80.28 -33.5 37.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -100.16 -18.84 16.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.079 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.89 -32.62 70.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.332 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.2 m -109.99 44.34 1.23 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 110.019 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -90.9 37.1 0.92 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.3 tp -93.07 -29.73 4.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.992 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 95' ' ' HEM . . . . . 0.954 HMD1 HG11 ' A' ' 61' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.492 ' CG1' ' CE1' ' A' ' 6' ' ' TYR . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.45 120.44 42.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.26 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.492 ' CE1' ' CG1' ' A' ' 4' ' ' VAL . 30.2 m-85 -99.47 109.06 21.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 111.034 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -94.27 151.36 19.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.545 1.153 . . . . 0.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.7 p -80.68 145.88 31.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -52.31 -21.01 3.08 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.421 1.076 . . . . 0.0 109.333 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.46 -33.88 76.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 110.333 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.501 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -59.89 -77.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 110.304 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.501 ' C ' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -32.91 -42.34 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 109.279 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.421 ' O ' ' HB2' ' A' ' 16' ' ' LYS . 2.9 mm100 -56.69 -60.2 3.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.3 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 11' ' ' GLU . 1.1 ptpm? -66.27 -10.85 46.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 75.3 m-70 -104.24 47.87 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.611 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.475 ' HG2' ' HB3' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -110.12 16.98 21.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.76 168.82 9.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.276 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.65 ' O ' HG23 ' A' ' 33' ' ' THR . 0.1 OUTLIER -61.09 -44.67 97.01 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.52 1.137 . . . . 0.0 109.985 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.601 ' O ' HG21 ' A' ' 33' ' ' THR . 12.6 mttt -43.25 -49.54 6.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.0 m -139.71 96.57 3.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.998 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.732 HG21 HD23 ' A' ' 36' ' ' LEU . 1.8 m -99.8 112.64 24.88 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.597 1.186 . . . . 0.0 110.374 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.4 ' O ' ' C ' ' A' ' 50' ' ' ALA . 13.8 m0 -117.34 157.99 25.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 107.981 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.602 ' CG2' ' HB3' ' A' ' 54' ' ' ALA . 7.2 p -156.78 123.14 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 24.1 mt -69.27 112.34 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.579 HD23 ' CE2' ' A' ' 30' ' ' TYR . 1.0 OUTLIER -123.6 133.21 53.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.516 ' CE1' ' HB3' ' A' ' 25' ' ' LEU . 0.0 OUTLIER 36.46 40.6 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.609 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.419 ' HB2' ' O ' ' A' ' 26' ' ' HIS . 32.9 m-70 68.36 51.59 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.654 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 25' ' ' LEU . 4.2 ptmt -170.19 126.48 0.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.828 HG23 HD11 ' A' ' 76' ' ' ILE . 16.8 m -73.39 141.96 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.365 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.609 ' CE2' ' HB3' ' A' ' 71' ' ' SER . 3.1 m-30 -117.73 104.89 11.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 0.0 111.022 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -74.16 77.14 1.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.236 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.483 HD12 ' HA ' ' A' ' 36' ' ' LEU . 0.8 OUTLIER -94.6 37.74 1.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.273 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.65 HG23 ' O ' ' A' ' 18' ' ' SER . 59.3 m -58.99 -53.21 61.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 110.434 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.06 -38.42 85.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.563 ' HB2' ' CZ ' ' A' ' 74' ' ' TYR . 74.0 t80 -89.98 17.09 7.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.113 . . . . 0.0 111.014 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.732 HD23 HG21 ' A' ' 21' ' ' THR . 2.2 tm? -72.53 -46.72 53.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.257 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.71 -9.83 47.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.26 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -84.15 -21.34 31.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 0.0 110.272 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.863 ' CE1' HD21 ' A' ' 46' ' ' LEU . 5.3 t-160 -49.97 124.76 17.25 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.397 1.061 . . . . 0.0 109.58 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.552 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.2 Cg_endo -75.04 -30.61 6.92 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.544 1.813 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.63 -65.99 2.58 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.578 1.174 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -173.98 147.81 9.6 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.423 ' HA ' HD12 ' A' ' 46' ' ' LEU . 22.0 pt-20 -86.5 -11.35 51.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 0.775 . . . . 0.0 110.308 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.483 ' O ' ' N ' ' A' ' 48' ' ' GLU . 14.1 tt0 -93.4 -53.06 4.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.593 1.183 . . . . 0.0 110.332 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.475 HG22 ' CAC' ' A' ' 95' ' ' HEM . 0.2 OUTLIER -39.99 -28.99 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.863 HD21 ' CE1' ' A' ' 39' ' ' HIS . 0.6 OUTLIER -82.94 -61.48 1.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.626 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 30.5 mtm180 -56.49 -54.82 41.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.299 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 44' ' ' GLU . 18.9 tp10 -34.5 -45.23 0.23 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.093 . . . . 0.0 110.351 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -131.76 46.93 2.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 110.342 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.626 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -67.07 -91.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.485 1.115 . . . . 0.0 109.346 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 52' ' ' GLY . . . -41.95 -32.22 0.95 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 51' ' ' GLY . . . -59.6 -142.39 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -128.68 111.24 12.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 0.768 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.602 ' HB3' ' CG2' ' A' ' 23' ' ' VAL . . . -112.84 25.7 11.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.0 m -52.69 -68.86 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.381 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -61.35 -38.95 88.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.519 ' O ' HG13 ' A' ' 61' ' ' VAL . 2.2 m120 -62.48 -19.33 63.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.654 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.8 OUTLIER -96.12 -39.97 9.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 111.065 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -78.15 -34.56 49.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.538 1.149 . . . . 0.0 110.278 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -59.11 -43.29 91.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.948 HG11 HMD1 ' A' ' 95' ' ' HEM . 6.0 m -69.73 -16.15 20.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 58.01 85.28 0.03 OUTLIER Glycine 0 CA--C 1.532 1.113 0 O-C-N 124.454 1.097 . . . . 0.0 110.933 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.488 ' CE1' ' CG2' ' A' ' 61' ' ' VAL . 31.4 m80 -69.97 139.99 52.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 0.785 . . . . 0.0 109.6 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.5 m -80.08 170.07 16.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.031 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -51.86 -45.67 64.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.406 -179.938 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -41.88 -41.23 2.36 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.478 1.111 . . . . 0.0 109.339 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.69 -45.73 74.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 65' ' ' THR . 0.0 OUTLIER -40.96 -45.8 2.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.326 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -65.61 -55.27 18.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 110.35 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.509 HD23 ' CE1' ' A' ' 35' ' ' TYR . 0.6 OUTLIER -54.88 -67.22 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.237 -179.93 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.609 ' HB3' ' CE2' ' A' ' 30' ' ' TYR . 56.8 m -30.14 -59.2 0.18 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.536 1.147 . . . . 0.0 109.965 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.11 -57.02 14.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 0.0 109.293 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.7 OUTLIER -51.89 -31.99 30.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 110.457 179.898 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.563 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 50.6 m-85 -100.1 38.15 1.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 111.035 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.629 HD13 ' H ' ' A' ' 76' ' ' ILE . 0.4 OUTLIER -115.12 139.77 39.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.628 1.205 . . . . 0.0 109.248 -179.897 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.828 HD11 HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -122.25 -38.09 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.476 ' N ' HG12 ' A' ' 76' ' ' ILE . . . 177.41 -157.66 22.5 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.499 1.124 . . . . 0.0 111.039 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.443 ' HA ' ' HA ' ' A' ' 28' ' ' LYS . 1.9 pt-20 -126.61 168.43 14.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.777 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 1.068 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -104.8 146.04 29.53 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.565 1.165 . . . . 0.0 109.362 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.614 ' N ' HD22 ' A' ' 79' ' ' LEU . 4.3 t-160 -36.9 105.19 0.29 Allowed Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 0.0 109.613 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.408 ' HA ' ' HB2' ' A' ' 84' ' ' ARG . 18.4 Cg_endo -74.94 -7.2 18.99 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.481 1.779 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.552 ' HB2' ' CD2' ' A' ' 80' ' ' HIS . 0.6 OUTLIER -80.08 -31.06 39.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -100.07 -15.83 18.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.346 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.656 ' HG3' HD11 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -61.82 -17.53 56.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.41 1.069 . . . . 0.0 110.296 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 17.9 m -108.43 39.38 2.0 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 110.011 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 28.4 tttt -94.43 -14.69 24.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.8 mp -75.42 -51.41 21.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.33 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 -179.962 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 95' ' ' HEM . . . . . 0.948 HMD1 HG11 ' A' ' 61' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.544 ' CG1' ' CE1' ' A' ' 6' ' ' TYR . 0.3 OUTLIER . . . . . 0 N--CA 1.451 -0.375 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.486 ' HB3' ' CZ ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -110.47 120.38 42.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.229 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.544 ' CE1' ' CG1' ' A' ' 4' ' ' VAL . 28.1 m-85 -101.0 101.44 12.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 111.026 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.486 ' CZ ' ' HB3' ' A' ' 5' ' ' LYS . 23.2 m-85 -89.72 146.21 24.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.597 1.186 . . . . 0.0 110.978 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.2 p -69.85 151.18 46.01 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.501 1.126 . . . . 0.0 110.439 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.537 ' HA ' HD11 ' A' ' 12' ' ' ILE . 0.5 OUTLIER -57.72 -14.73 6.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.572 1.17 . . . . 0.0 109.338 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.428 ' O ' ' HB2' ' A' ' 13' ' ' GLN . 3.0 tt0 -72.39 -42.42 65.21 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.573 1.171 . . . . 0.0 110.275 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.486 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -48.58 -69.62 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.249 -179.928 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.537 HD11 ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -33.81 -53.09 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.362 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.428 ' HB2' ' O ' ' A' ' 10' ' ' GLU . 15.8 mm-40 -52.24 -53.67 40.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 11' ' ' GLU . 69.5 mmtt -52.21 -36.34 51.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.471 ' NE2' ' CG ' ' A' ' 11' ' ' GLU . 2.6 m-70 -87.32 58.35 4.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 109.548 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.99 31.67 5.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 109.331 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -143.44 161.51 38.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.342 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.742 ' O ' HG23 ' A' ' 33' ' ' THR . 5.1 m -50.14 -48.95 53.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 110.007 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.611 ' O ' HG21 ' A' ' 33' ' ' THR . 0.0 OUTLIER -43.65 -47.27 7.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.567 1.167 . . . . 0.0 109.283 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.1 p -138.03 99.1 3.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.006 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.702 HG21 HD23 ' A' ' 36' ' ' LEU . 1.6 m -110.82 112.15 23.81 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.433 1.083 . . . . 0.0 110.443 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.419 ' O ' ' C ' ' A' ' 50' ' ' ALA . 10.4 m0 -117.97 161.26 20.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 108.059 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.692 ' CG2' ' HB3' ' A' ' 54' ' ' ALA . 10.9 p -158.42 123.83 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.516 HG13 HG21 ' A' ' 12' ' ' ILE . 32.0 mt -71.54 110.96 4.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.642 HD22 ' CD2' ' A' ' 30' ' ' TYR . 2.3 mp -121.78 132.49 54.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.431 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 24.3 m80 37.27 39.9 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.592 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.431 ' HB2' ' O ' ' A' ' 26' ' ' HIS . 5.3 m-70 68.97 52.22 0.52 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.548 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.519 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 2.7 ptmt -170.03 127.45 0.86 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.85 HG23 HD11 ' A' ' 76' ' ' ILE . 18.3 m -74.68 142.06 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.642 ' CD2' HD22 ' A' ' 25' ' ' LEU . 2.9 m-30 -116.86 106.95 14.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.977 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -73.76 76.15 1.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.342 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.416 HD22 ' HAB' ' A' ' 95' ' ' HEM . 1.1 pp -95.85 39.21 1.14 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.742 HG23 ' O ' ' A' ' 18' ' ' SER . 58.3 m -61.73 -49.59 75.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.409 1.068 . . . . 0.0 110.444 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.67 -37.87 73.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.557 ' CE2' ' C2B' ' A' ' 95' ' ' HEM . 75.7 t80 -90.02 20.37 4.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.12 . . . . 0.0 110.949 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.702 HD23 HG21 ' A' ' 21' ' ' THR . 1.3 tm? -76.98 -47.3 21.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.35 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -89.52 -7.19 55.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.431 1.082 . . . . 0.0 110.309 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.73 -22.42 24.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.239 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.76 ' CE1' HD21 ' A' ' 46' ' ' LEU . 5.4 t-160 -50.08 124.78 17.76 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 109.603 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.542 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.3 Cg_endo -74.92 -30.95 6.76 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.492 1.785 . . . . 0.0 110.987 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.18 -66.42 2.46 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.459 1.099 . . . . 0.0 111.027 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -173.91 149.65 11.07 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.459 ' HA ' HD12 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -87.72 -19.01 28.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 0.786 . . . . 0.0 110.268 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.504 ' O ' ' N ' ' A' ' 48' ' ' GLU . 2.7 mt-10 -84.8 -53.55 5.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.306 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.45 HG22 ' CAC' ' A' ' 95' ' ' HEM . 0.2 OUTLIER -40.11 -28.83 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 0.0 109.317 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.76 HD21 ' CE1' ' A' ' 39' ' ' HIS . 0.8 OUTLIER -84.75 -61.3 1.82 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 0.0 109.353 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.488 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 9.6 mtm180 -57.82 -57.38 13.01 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.336 1.023 . . . . 0.0 110.308 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' A' ' 44' ' ' GLU . 0.7 OUTLIER -34.19 -45.08 0.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.289 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -133.57 53.25 2.02 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.475 1.109 . . . . 0.0 110.228 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.488 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -73.01 -91.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.448 ' CA ' ' HB ' ' A' ' 12' ' ' ILE . . . -42.97 -28.71 0.75 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.448 1.092 . . . . 0.0 110.954 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 51' ' ' GLY . . . -59.86 -136.7 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -132.76 110.79 10.62 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.438 0.729 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.692 ' HB3' ' CG2' ' A' ' 23' ' ' VAL . . . -115.36 16.35 16.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.25 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.0 m -49.97 -58.74 4.84 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.132 . . . . 0.0 110.374 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.58 -41.15 80.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.154 . . . . 0.0 110.284 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.462 ' O ' HG13 ' A' ' 61' ' ' VAL . 2.2 m120 -65.96 -13.36 59.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.798 ' CD1' ' CE1' ' A' ' 63' ' ' HIS . 77.3 t80 -98.76 -40.03 8.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 111.031 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -81.09 -35.53 31.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 110.246 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -56.7 -42.63 79.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.951 HG11 HMD1 ' A' ' 95' ' ' HEM . 7.8 m -67.54 -18.52 23.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 62.81 84.02 0.07 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.421 1.076 . . . . 0.0 110.981 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.798 ' CE1' ' CD1' ' A' ' 58' ' ' PHE . 32.6 m80 -71.62 140.07 49.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 0.795 . . . . 0.0 109.63 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.22 169.62 17.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.014 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -50.97 -47.41 61.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.465 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 65' ' ' THR . 0.1 OUTLIER -40.67 -42.56 1.75 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 109.324 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.14 -48.16 71.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 65' ' ' THR . 25.6 ttt180 -40.07 -46.66 2.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -64.89 -54.77 25.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 110.275 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.501 HD23 ' CE1' ' A' ' 35' ' ' TYR . 0.9 OUTLIER -54.31 -67.83 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.368 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.585 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 5.0 p -32.82 -57.31 0.37 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.96 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.7 tttt -56.19 -52.44 64.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.463 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -57.35 -31.71 66.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.46 179.909 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.552 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 49.8 m-85 -99.64 38.78 1.39 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.44 1.088 . . . . 0.0 111.031 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -115.21 140.61 35.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.85 HD11 HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -122.72 -38.71 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.172 . . . . 0.0 109.281 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.465 ' N ' HG12 ' A' ' 76' ' ' ILE . . . 175.19 -162.21 31.75 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.469 1.106 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.419 ' O ' ' O ' ' A' ' 5' ' ' LYS . 1.9 mt-10 -122.34 169.7 10.68 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.53 0.782 . . . . 0.0 110.342 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.724 HD22 ' C ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -104.18 150.25 24.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.35 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.576 ' O ' HD22 ' A' ' 79' ' ' LEU . 0.6 OUTLIER -38.6 109.89 0.53 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.56 -179.927 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.412 ' HA ' ' HB3' ' A' ' 84' ' ' ARG . 18.4 Cg_endo -74.96 0.26 9.1 Favored 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.495 1.787 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -78.03 -38.13 45.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -88.82 -25.69 22.07 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.412 ' HB3' ' HA ' ' A' ' 81' ' ' PRO . 0.5 OUTLIER -61.35 -29.65 70.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.74 54.7 0.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.981 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -99.95 27.47 5.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.125 . . . . 0.0 109.332 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.6 mp -99.05 -59.99 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.986 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 95' ' ' HEM . . . . . 0.951 HMD1 HG11 ' A' ' 61' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.424 ' CG1' ' CE1' ' A' ' 6' ' ' TYR . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.581 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -110.2 121.45 45.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.424 ' CE1' ' CG1' ' A' ' 4' ' ' VAL . 30.5 m-85 -101.04 103.82 14.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 111.001 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.581 ' CE1' ' HB3' ' A' ' 5' ' ' LYS . 16.9 m-85 -92.0 146.15 23.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.421 ' C ' ' N ' ' A' ' 10' ' ' GLU . 1.2 p -71.62 146.6 48.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 110.416 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.562 HD12 HD12 ' A' ' 87' ' ' ILE . 0.4 OUTLIER -52.89 -18.07 1.74 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.444 1.09 . . . . 0.0 109.208 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.439 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -70.86 -40.55 72.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.277 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.499 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -49.04 -71.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.335 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.528 HD13 ' H ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -32.04 -55.12 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 179.905 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.416 ' HB2' ' O ' ' A' ' 10' ' ' GLU . 18.7 mm-40 -48.92 -55.71 10.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 11' ' ' GLU . 67.9 mmtt -49.43 -35.52 19.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.568 1.167 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.496 ' CA ' ' O ' ' A' ' 20' ' ' SER . 2.7 m-70 -90.98 55.07 2.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 109.57 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.95 25.3 11.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -135.39 164.07 28.6 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.44 1.087 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.605 ' O ' HG23 ' A' ' 33' ' ' THR . 0.4 OUTLIER -51.62 -50.93 59.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.43 1.081 . . . . 0.0 109.962 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.686 ' O ' HG21 ' A' ' 33' ' ' THR . 12.3 mmtt -39.97 -51.32 2.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.496 ' O ' ' CA ' ' A' ' 15' ' ' HIS . 11.6 m -139.94 101.92 4.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.023 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.9 m -112.17 116.09 29.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 110.416 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.42 ' O ' ' C ' ' A' ' 50' ' ' ALA . 10.0 m0 -115.52 163.33 15.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 108.057 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.56 ' CG2' ' HB3' ' A' ' 54' ' ' ALA . 7.6 p -158.41 124.75 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.656 ' O ' HD12 ' A' ' 25' ' ' LEU . 20.1 mt -71.11 121.91 22.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.656 HD12 ' O ' ' A' ' 24' ' ' ILE . 2.2 mp -132.91 133.19 42.92 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.44 ' C ' ' O ' ' A' ' 25' ' ' LEU . 17.3 m80 36.82 39.76 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.607 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.462 ' CE1' ' HE ' ' A' ' 84' ' ' ARG . 1.2 m170 69.6 51.36 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.586 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.569 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -170.15 131.29 0.99 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.793 HG23 HD11 ' A' ' 76' ' ' ILE . 16.3 m -77.15 142.85 13.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.441 1.088 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.617 ' CD2' HD22 ' A' ' 25' ' ' LEU . 2.5 m-30 -118.27 104.91 11.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.92 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -73.2 80.34 1.29 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 36' ' ' LEU . 0.6 OUTLIER -98.68 28.33 4.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.096 . . . . 0.0 109.307 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.686 HG21 ' O ' ' A' ' 19' ' ' LYS . 69.8 m -50.07 -49.81 50.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.414 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm -68.47 -41.59 79.93 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.589 ' CD2' ' O ' ' A' ' 35' ' ' TYR . 83.1 t80 -89.95 25.51 2.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.797 HD11 HH11 ' A' ' 47' ' ' ARG . 2.0 tm? -82.08 -47.98 11.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.24 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -89.98 -6.76 55.3 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.471 1.107 . . . . 0.0 110.302 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -89.89 -21.58 22.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.306 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.613 ' CE1' HD21 ' A' ' 46' ' ' LEU . 6.3 t-160 -49.97 123.6 15.79 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.606 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.506 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.3 Cg_endo -75.03 -33.05 4.84 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.447 1.761 . . . . 0.0 110.947 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.18 -65.04 3.32 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.514 1.134 . . . . 0.0 111.063 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.18 148.68 10.11 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.496 ' HA ' HD12 ' A' ' 46' ' ' LEU . 3.8 pt-20 -88.92 -36.7 15.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 0.775 . . . . 0.0 110.297 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.527 ' O ' ' N ' ' A' ' 48' ' ' GLU . 1.9 mm-40 -67.55 -54.15 22.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.308 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.513 HG22 ' CAC' ' A' ' 95' ' ' HEM . 0.2 OUTLIER -39.89 -29.2 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.439 1.087 . . . . 0.0 109.296 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.613 HD21 ' CE1' ' A' ' 39' ' ' HIS . 1.8 mt -85.28 -58.83 2.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.797 HH11 HD11 ' A' ' 36' ' ' LEU . 76.2 mtm-85 -60.47 -57.92 10.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.432 1.083 . . . . 0.0 110.291 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.527 ' N ' ' O ' ' A' ' 44' ' ' GLU . 39.5 tt0 -33.39 -45.25 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.087 . . . . 0.0 110.268 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -132.55 52.79 2.05 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.47 1.106 . . . . 0.0 110.333 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.512 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -71.79 -92.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.41 ' CA ' ' HB ' ' A' ' 12' ' ' ILE . . . -39.51 -30.76 0.19 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.49 ' O ' HD12 ' A' ' 24' ' ' ILE . . . -61.16 -141.47 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -131.22 113.8 14.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 0.76 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.56 ' HB3' ' CG2' ' A' ' 23' ' ' VAL . . . -115.31 20.85 14.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.5 m -50.58 -60.05 3.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.335 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.453 ' HA ' ' CG ' ' A' ' 59' ' ' GLU . 16.5 mm-40 -65.25 -42.21 93.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.355 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.426 ' O ' HG13 ' A' ' 61' ' ' VAL . 1.9 m120 -65.68 -12.8 56.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.804 ' CD1' ' CE1' ' A' ' 63' ' ' HIS . 79.4 t80 -99.86 -41.05 7.4 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.448 1.093 . . . . 0.0 111.037 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.453 ' CG ' ' HA ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -81.56 -29.89 33.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 110.302 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.434 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 59.9 t0 -62.11 -41.45 98.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.981 HG11 HMD1 ' A' ' 95' ' ' HEM . 6.4 m -69.9 -17.67 21.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 62.31 85.45 0.05 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.53 1.143 . . . . 0.0 110.966 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.804 ' CE1' ' CD1' ' A' ' 58' ' ' PHE . 36.3 m80 -72.73 140.02 47.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 0.723 . . . . 0.0 109.584 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.1 m -78.72 170.13 17.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.982 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 68' ' ' ARG . 0.9 OUTLIER -52.27 -46.7 65.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.366 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -41.55 -42.04 2.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.3 -46.87 75.47 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.592 1.182 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 65' ' ' THR . 0.0 OUTLIER -41.32 -44.71 2.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 110.281 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.63 -54.01 27.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.291 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.481 ' O ' ' C ' ' A' ' 71' ' ' SER . 0.8 OUTLIER -54.43 -68.52 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.585 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 2.3 p -31.85 -57.39 0.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 110.028 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.762 ' O ' HG22 ' A' ' 75' ' ' ILE . 0.6 OUTLIER -54.9 -54.6 40.52 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.462 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.7 OUTLIER -57.2 -30.69 64.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.345 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.53 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 48.6 m-85 -99.63 39.87 1.28 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.762 HG22 ' O ' ' A' ' 72' ' ' LYS . 5.3 tt -118.7 145.08 25.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.793 HD11 HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -127.17 -38.63 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.497 ' O ' HG22 ' A' ' 29' ' ' VAL . . . 174.27 -167.7 40.19 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.481 1.113 . . . . 0.0 111.023 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -116.18 170.0 8.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.436 0.727 . . . . 0.0 110.334 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.775 HD22 ' C ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -107.02 150.46 26.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.575 ' CE1' ' HB2' ' A' ' 82' ' ' ASP . 1.1 t-80 -40.19 104.53 0.33 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.577 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 2.55 6.48 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.49 1.784 . . . . 0.0 111.066 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.575 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 5.8 t0 -79.51 -34.94 40.79 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.463 1.102 . . . . 0.0 109.358 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.78 14.38 28.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.462 ' HE ' ' CE1' ' A' ' 27' ' ' HIS . 0.3 OUTLIER -59.87 -17.52 37.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.338 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 12.9 t -85.35 -33.84 21.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.98 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.75 36.83 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.267 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.562 HD12 HD12 ' A' ' 9' ' ' LEU . 2.5 tp -94.33 -23.44 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.252 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.244 -179.918 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 95' ' ' HEM . . . . . 0.981 HMD1 HG11 ' A' ' 61' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.503 ' HA ' ' CE ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -100.59 113.52 26.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.474 ' CZ ' ' HB3' ' A' ' 5' ' ' LYS . 18.4 m-85 -102.79 148.99 24.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 110.978 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.401 ' C ' ' N ' ' A' ' 10' ' ' GLU . 0.4 OUTLIER -76.54 146.28 38.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.567 1.167 . . . . 0.0 110.359 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.464 ' HA ' HD11 ' A' ' 12' ' ' ILE . 1.3 pt? -53.47 -18.83 3.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.153 . . . . 0.0 109.331 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.401 ' N ' ' C ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -66.55 -31.04 71.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 110.334 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.514 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.1 OUTLIER -61.64 -75.75 0.07 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 110.257 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.514 ' C ' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -31.75 -44.87 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.241 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -55.0 -73.5 0.05 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.72 -22.35 5.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.365 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.451 ' CD2' ' CG ' ' A' ' 11' ' ' GLU . 74.0 m-70 -96.7 45.88 1.05 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.501 1.125 . . . . 0.0 109.6 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.419 ' HG2' ' HB3' ' A' ' 50' ' ' ALA . 4.1 tmtt? -109.98 24.3 13.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -119.38 169.3 10.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.572 ' O ' HG23 ' A' ' 33' ' ' THR . 0.6 OUTLIER -58.27 -45.51 87.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.996 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.486 ' O ' HG21 ' A' ' 33' ' ' THR . 0.4 OUTLIER -43.88 -52.84 6.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.2 m -135.69 95.92 3.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.015 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.759 HG21 HD23 ' A' ' 36' ' ' LEU . 1.4 m -98.61 112.45 24.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.102 . . . . 0.0 110.388 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.4 ' O ' ' C ' ' A' ' 50' ' ' ALA . 10.3 m0 -118.24 157.48 26.94 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.685 HG22 HD13 ' A' ' 25' ' ' LEU . 4.2 p -154.7 122.95 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.157 . . . . 0.0 109.248 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.492 HG13 HG21 ' A' ' 12' ' ' ILE . 16.9 mt -68.77 113.89 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.685 HD13 HG22 ' A' ' 23' ' ' VAL . 1.8 mp -124.87 118.48 26.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.55 ' O ' ' CG ' ' A' ' 27' ' ' HIS . 13.8 m80 39.9 61.44 1.47 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.604 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.55 ' CG ' ' O ' ' A' ' 26' ' ' HIS . 27.9 p80 50.66 51.21 17.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 109.695 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.426 ' HG2' HD11 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -169.96 113.2 0.48 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 109.227 -179.917 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.766 HG23 HD11 ' A' ' 76' ' ' ILE . 10.8 m -71.27 141.94 16.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.62 ' CD2' HD22 ' A' ' 25' ' ' LEU . 4.5 m-30 -116.84 109.99 17.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -79.52 77.04 6.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.473 HD11 HD13 ' A' ' 46' ' ' LEU . 0.6 OUTLIER -93.91 39.66 1.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.328 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.572 HG23 ' O ' ' A' ' 18' ' ' SER . 55.6 m -61.87 -49.62 75.53 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.416 1.073 . . . . 0.0 110.385 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.31 -41.71 84.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.531 ' HB2' ' CZ ' ' A' ' 74' ' ' TYR . 91.5 t80 -89.92 21.69 3.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 110.95 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.759 HD23 HG21 ' A' ' 21' ' ' THR . 1.9 tm? -74.98 -51.12 14.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -87.5 -9.23 55.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.301 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.03 -23.01 28.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.346 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.723 ' CE1' HD21 ' A' ' 46' ' ' LEU . 5.1 t-160 -49.91 126.55 19.44 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.568 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.595 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.0 Cg_endo -75.08 -28.83 8.71 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.555 1.819 . . . . 0.0 110.981 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.55 -68.31 1.7 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.48 1.112 . . . . 0.0 110.969 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.09 148.38 9.95 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.469 ' HA ' HD12 ' A' ' 46' ' ' LEU . 0.5 OUTLIER -85.77 -18.44 32.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.781 . . . . 0.0 110.305 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 48' ' ' GLU . 7.7 tt0 -85.28 -54.1 4.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.415 1.072 . . . . 0.0 110.311 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.412 HG12 ' H ' ' A' ' 45' ' ' VAL . 0.2 OUTLIER -40.17 -28.84 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.09 . . . . 0.0 109.322 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.723 HD21 ' CE1' ' A' ' 39' ' ' HIS . 0.9 OUTLIER -85.09 -61.52 1.75 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.615 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 22.9 mtm180 -57.13 -56.7 18.38 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.544 1.152 . . . . 0.0 110.312 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 44' ' ' GLU . 3.2 tp10 -34.17 -45.09 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.314 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.474 ' HG3' ' HB2' ' A' ' 54' ' ' ALA . 22.2 pt20 -129.64 48.12 2.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 0.0 110.272 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.615 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -70.13 -92.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.352 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 52' ' ' GLY . . . -41.84 -32.94 1.02 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.535 1.147 . . . . 0.0 110.97 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.411 ' O ' HD12 ' A' ' 24' ' ' ILE . . . -59.51 -141.43 0.01 OUTLIER Glycine 0 CA--C 1.529 0.944 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -129.55 111.13 12.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 0.731 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.62 ' HB3' ' CG2' ' A' ' 23' ' ' VAL . . . -112.79 19.33 17.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.0 m -50.51 -61.35 2.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 110.471 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.421 ' HA ' ' CG ' ' A' ' 59' ' ' GLU . 14.3 mt-10 -66.1 -40.53 90.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 110.325 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -65.99 -13.28 59.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.794 ' CD1' ' CE1' ' A' ' 63' ' ' HIS . 75.1 t80 -99.91 -40.3 7.74 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.612 1.195 . . . . 0.0 110.97 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.421 ' CG ' ' HA ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -81.38 -30.39 33.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 110.243 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.412 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 49.0 t0 -60.39 -44.08 96.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.626 HG22 ' O ' ' A' ' 58' ' ' PHE . 9.1 m -67.3 -17.56 22.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 109.259 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 62.22 84.13 0.06 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.499 1.124 . . . . 0.0 111.044 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.794 ' CE1' ' CD1' ' A' ' 58' ' ' PHE . 35.3 m80 -71.47 140.13 49.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 0.786 . . . . 0.0 109.574 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.26 170.03 15.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.426 1.079 . . . . 0.0 109.997 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -50.3 -46.79 55.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.362 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -41.09 -40.6 1.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.25 -46.72 66.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.339 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 65' ' ' THR . 4.5 ttp180 -42.52 -45.25 4.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 110.338 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.22 -50.55 67.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.472 1.108 . . . . 0.0 110.301 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 73' ' ' THR . 1.1 mp -61.07 -66.51 0.52 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.595 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 5.3 p -33.93 -55.51 0.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.005 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.54 ' O ' HG22 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -58.22 -51.09 71.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.357 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -59.18 -29.98 67.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.373 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.531 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 40.9 m-85 -100.05 39.74 1.31 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.957 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.54 HG22 ' O ' ' A' ' 72' ' ' LYS . 4.6 tt -113.83 139.89 37.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 109.342 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.766 HD11 HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -124.64 -37.21 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 109.339 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.698 ' O ' HG22 ' A' ' 29' ' ' VAL . . . 169.69 -175.82 43.74 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.549 1.156 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -109.08 170.07 8.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 0.777 . . . . 0.0 110.304 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.696 ' C ' HD22 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -104.91 152.16 22.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.256 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.557 ' O ' HD22 ' A' ' 79' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.598 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.48 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -99.29 124.23 44.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.603 1.19 . . . . 0.0 111.034 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.48 ' CE1' ' HB3' ' A' ' 5' ' ' LYS . 13.5 m-85 -111.5 146.34 37.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.387 1.054 . . . . 0.0 111.008 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.413 ' C ' ' N ' ' A' ' 10' ' ' GLU . 1.7 p -73.76 145.94 44.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 110.39 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.407 ' O ' HG12 ' A' ' 12' ' ' ILE . 1.4 pt? -52.75 -18.87 2.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.413 ' N ' ' C ' ' A' ' 8' ' ' THR . 1.1 mt-10 -63.56 -33.72 76.23 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.46 1.1 . . . . 0.0 110.27 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.493 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -61.61 -74.61 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 110.236 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.498 ' H ' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -33.61 -40.7 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.432 ' C ' ' N ' ' A' ' 15' ' ' HIS . 5.7 mm-40 -61.8 -82.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.315 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.426 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -41.76 -29.29 0.19 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.447 ' C ' ' O ' ' A' ' 20' ' ' SER . 85.2 m-70 -91.29 48.31 1.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 109.603 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.6 pttt -110.2 30.71 6.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.363 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 20' ' ' SER . 0.1 OUTLIER -129.32 163.69 25.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.611 ' O ' HG23 ' A' ' 33' ' ' THR . 0.1 OUTLIER -48.85 -53.98 17.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.033 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.572 ' O ' HG21 ' A' ' 33' ' ' THR . 0.0 OUTLIER -44.19 -45.31 8.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 15' ' ' HIS . 23.6 p -137.41 99.21 3.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.034 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.519 HG21 ' CD2' ' A' ' 36' ' ' LEU . 0.5 OUTLIER -114.31 109.82 18.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.454 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.42 ' O ' ' C ' ' A' ' 50' ' ' ALA . 10.2 m0 -115.96 162.12 17.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 107.999 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.696 HG22 HD13 ' A' ' 25' ' ' LEU . 2.5 p -158.66 121.84 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 8.2 mt -68.91 108.58 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.564 1.165 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.696 HD13 HG22 ' A' ' 23' ' ' VAL . 0.6 OUTLIER -117.11 120.76 39.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 39.73 53.74 2.52 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.428 1.08 . . . . 0.0 109.569 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 56.7 51.91 10.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.588 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -169.95 106.33 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.108 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.826 HG23 HD11 ' A' ' 76' ' ' ILE . 6.2 m -62.9 141.6 17.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.564 1.165 . . . . 0.0 109.338 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.619 ' CE2' HD23 ' A' ' 25' ' ' LEU . 3.6 m-30 -117.14 108.82 16.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.918 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.407 ' HA ' ' CD1' ' A' ' 22' ' ' TRP . 23.9 t0 -78.21 78.25 4.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.471 HD11 HD13 ' A' ' 46' ' ' LEU . 0.5 OUTLIER -95.34 36.29 1.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.252 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.611 HG23 ' O ' ' A' ' 18' ' ' SER . 54.3 m -56.86 -52.26 65.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.465 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.89 -41.14 91.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.539 ' HB2' ' CZ ' ' A' ' 74' ' ' TYR . 85.7 t80 -89.33 19.46 4.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.9 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.635 ' C ' HD13 ' A' ' 36' ' ' LEU . 2.5 tm? -75.84 -48.32 22.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 0.0 109.332 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -90.06 -9.84 46.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 110.301 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.15 -23.11 28.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.326 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.704 ' CE1' HD21 ' A' ' 46' ' ' LEU . 5.0 t-160 -50.08 126.88 20.91 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.44 1.088 . . . . 0.0 109.598 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.602 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.2 Cg_endo -75.0 -26.55 10.8 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.484 1.781 . . . . 0.0 110.984 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.84 -68.47 1.64 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.495 1.122 . . . . 0.0 111.088 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.1 145.03 7.89 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.4 -7.47 59.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 0.746 . . . . 0.0 110.293 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.463 ' C ' ' N ' ' A' ' 46' ' ' LEU . 34.9 tt0 -97.22 -52.9 3.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 110.242 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.413 ' H ' HG12 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -40.24 -28.42 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.704 HD21 ' CE1' ' A' ' 39' ' ' HIS . 0.3 OUTLIER -87.03 -49.72 7.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.335 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.611 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 5.0 mtp-105 -65.25 -60.06 3.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.591 1.182 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.464 ' C ' ' O ' ' A' ' 47' ' ' ARG . 28.6 tt0 -33.42 -45.09 0.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.122 . . . . 0.0 110.271 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -129.14 47.78 2.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.321 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.611 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -71.99 -90.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -40.78 -33.12 0.58 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.458 1.099 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.31 -137.01 0.01 OUTLIER Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -136.17 115.02 12.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 0.793 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.55 ' HB3' HG21 ' A' ' 23' ' ' VAL . . . -112.03 25.68 11.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.44 1.087 . . . . 0.0 109.225 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 28.5 m -50.43 -72.1 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 110.439 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 60' ' ' ASP . 18.4 mt-10 -59.44 -36.23 75.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 110.318 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.615 ' O ' HG13 ' A' ' 61' ' ' VAL . 2.7 m120 -63.33 -23.68 67.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 109.321 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.624 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.5 OUTLIER -91.94 -39.83 11.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 111.03 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -77.52 -30.99 53.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.286 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 56' ' ' GLU . 56.7 t0 -62.7 -43.85 97.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.652 1.22 . . . . 0.0 109.22 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.624 HG22 ' O ' ' A' ' 58' ' ' PHE . 5.4 m -70.0 -17.21 20.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 59.27 84.8 0.04 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.457 1.098 . . . . 0.0 110.979 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.475 ' CE1' ' CG2' ' A' ' 61' ' ' VAL . 36.4 m80 -69.94 140.01 52.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 0.76 . . . . 0.0 109.612 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.57 170.0 16.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.03 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -51.49 -46.53 63.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.377 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -41.94 -41.14 2.39 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.56 1.163 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.3 -46.2 74.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 65' ' ' THR . 3.7 ttt180 -43.07 -40.87 3.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.37 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -69.32 -53.33 20.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 110.366 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.475 ' O ' ' C ' ' A' ' 71' ' ' SER . 0.8 OUTLIER -57.23 -65.83 0.56 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.258 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.608 ' HB3' ' CE2' ' A' ' 30' ' ' TYR . 58.8 m -32.74 -58.51 0.35 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 110.005 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.615 ' O ' HG22 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -56.4 -51.56 67.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.457 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.7 OUTLIER -57.69 -31.36 66.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.407 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.539 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 45.0 m-85 -100.04 41.61 1.15 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.425 1.078 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.615 HG22 ' O ' ' A' ' 72' ' ' LYS . 6.6 tt -116.06 139.93 40.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.826 HD11 HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -123.3 -38.83 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.474 ' N ' HG12 ' A' ' 76' ' ' ILE . . . 173.6 -162.38 33.3 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.482 1.114 . . . . 0.0 111.038 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -119.84 170.07 9.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 0.774 . . . . 0.0 110.351 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.753 ' C ' HD22 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -98.7 144.54 27.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.646 ' O ' HD22 ' A' ' 79' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.583 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.463 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -100.56 111.82 24.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.085 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.463 ' CE1' ' HB3' ' A' ' 5' ' ' LYS . 20.3 m-85 -100.02 149.71 23.19 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.563 1.165 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.1 p -79.13 151.47 31.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 110.445 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.428 ' HA ' HD11 ' A' ' 12' ' ' ILE . 1.5 pt? -55.7 -18.29 7.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.412 ' N ' HD23 ' A' ' 9' ' ' LEU . 2.1 mm-40 -65.48 -34.35 78.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.459 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -61.71 -72.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.378 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.504 HG21 HG13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -36.0 -42.06 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 0.0 109.291 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.408 ' C ' ' N ' ' A' ' 15' ' ' HIS . 2.2 mm-40 -59.4 -78.84 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.399 1.062 . . . . 0.0 110.299 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.411 ' HE3' ' NE2' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -46.42 -26.4 0.84 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 0.0 109.253 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.416 ' NE2' ' HG3' ' A' ' 11' ' ' GLU . 81.1 m-70 -93.55 43.67 1.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.586 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -108.23 23.59 14.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.329 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -119.72 169.35 10.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.672 ' O ' HG23 ' A' ' 33' ' ' THR . 0.5 OUTLIER -57.08 -49.09 76.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.017 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.579 ' O ' HG21 ' A' ' 33' ' ' THR . 3.4 ptpt -43.14 -46.63 5.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.405 ' N ' ' HG3' ' A' ' 19' ' ' LYS . 25.9 m -139.88 98.55 3.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.059 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.588 HG21 HD23 ' A' ' 36' ' ' LEU . 1.9 m -103.42 110.26 22.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.415 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 8.6 m0 -115.67 158.08 23.29 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.62 ' CG2' ' HB3' ' A' ' 54' ' ' ALA . 8.6 p -157.26 121.19 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.504 HG13 HG21 ' A' ' 12' ' ' ILE . 8.0 mt -68.43 106.32 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.253 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.631 HD23 ' CE2' ' A' ' 30' ' ' TYR . 0.5 OUTLIER -117.44 122.29 43.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.417 ' C ' ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER 38.99 55.57 2.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.566 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.5 m80 52.86 51.89 15.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.622 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt -168.91 99.32 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.283 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.817 HG23 HD11 ' A' ' 76' ' ' ILE . 11.5 m -56.53 140.3 14.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.631 ' CE2' HD23 ' A' ' 25' ' ' LEU . 4.8 m-30 -115.91 107.71 15.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 111.031 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -77.22 74.75 3.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.406 1.066 . . . . 0.0 109.294 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -92.71 44.95 1.17 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.528 1.142 . . . . 0.0 109.243 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.672 HG23 ' O ' ' A' ' 18' ' ' SER . 92.8 m -66.05 -49.43 67.71 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 0.0 110.377 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.05 -36.01 72.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.56 ' HB2' ' CZ ' ' A' ' 74' ' ' TYR . 80.4 t80 -89.71 14.81 10.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 111.019 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.626 ' C ' HD13 ' A' ' 36' ' ' LEU . 1.8 tm? -71.59 -45.61 61.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -90.06 -9.29 49.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.1 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.84 -24.91 28.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 110.283 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.77 ' CE1' HD21 ' A' ' 46' ' ' LEU . 5.1 t-160 -50.88 123.5 18.75 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.639 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.453 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.4 Cg_endo -75.02 -30.71 6.84 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.447 1.762 . . . . 0.0 111.026 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.01 -65.57 3.04 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.524 1.14 . . . . 0.0 111.034 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.1 145.31 8.05 Favored Glycine 0 CA--C 1.529 0.946 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.406 ' HA ' HD12 ' A' ' 46' ' ' LEU . 1.5 pt-20 -86.95 -7.63 57.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 0.732 . . . . 0.0 110.264 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' A' ' 48' ' ' GLU . 1.2 tp10 -98.19 -53.78 3.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.427 ' H ' HG12 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -40.04 -28.72 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.77 HD21 ' CE1' ' A' ' 39' ' ' HIS . 1.2 mt -80.87 -58.22 3.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.631 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 57.2 mtm180 -62.39 -50.32 72.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.224 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 44' ' ' GLU . 7.3 pt-20 -35.97 -36.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 110.335 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.601 HE22 ' ND2' ' A' ' 57' ' ' ASN . 13.3 pt20 -143.24 45.84 1.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.434 1.084 . . . . 0.0 110.319 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.631 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -65.48 -87.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.401 ' O ' ' HB ' ' A' ' 12' ' ' ILE . . . -44.49 -30.73 2.19 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.46 1.1 . . . . 0.0 110.982 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.501 ' O ' HD12 ' A' ' 24' ' ' ILE . . . -60.36 -137.21 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -134.16 111.46 10.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 0.785 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.62 ' HB3' ' CG2' ' A' ' 23' ' ' VAL . . . -111.12 23.29 14.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.354 1.034 . . . . 0.0 109.315 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 17.5 m -50.76 -69.96 0.1 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 110.408 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 23.5 mt-10 -62.18 -38.83 90.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.412 1.07 . . . . 0.0 110.24 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.601 ' ND2' HE22 ' A' ' 49' ' ' GLN . 8.6 m-80 -61.59 -20.32 63.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.701 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.6 OUTLIER -95.33 -40.2 9.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -77.3 -34.64 55.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' A' ' 56' ' ' GLU . 12.0 t70 -59.09 -42.14 89.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.701 HG22 ' O ' ' A' ' 58' ' ' PHE . 5.0 m -70.97 -16.41 19.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 57.8 85.27 0.03 OUTLIER Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.549 1.155 . . . . 0.0 111.029 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.479 ' CE1' ' CG2' ' A' ' 61' ' ' VAL . 34.7 m80 -69.98 140.04 52.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.433 0.725 . . . . 0.0 109.598 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.7 m -81.55 170.14 16.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.002 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -50.95 -46.3 60.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 110.431 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -41.04 -41.36 1.67 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.39 -46.51 66.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.256 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 65' ' ' THR . 3.2 ttt85 -39.21 -45.89 1.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.316 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -66.84 -54.99 16.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 110.266 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.467 ' O ' ' C ' ' A' ' 71' ' ' SER . 0.8 OUTLIER -55.32 -66.85 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.276 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.606 ' HB3' ' CE2' ' A' ' 30' ' ' TYR . 74.0 m -33.12 -58.0 0.38 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 109.986 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.26 -50.15 74.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.46 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -57.66 -31.35 66.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.44 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.56 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 44.0 m-85 -100.0 37.94 1.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 111.075 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -112.15 139.85 34.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.35 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.817 HD11 HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -123.15 -38.01 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.496 ' N ' HG12 ' A' ' 76' ' ' ILE . . . 174.69 -159.76 28.64 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.553 1.158 . . . . 0.0 110.991 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -122.68 170.13 10.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 0.784 . . . . 0.0 110.244 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 1.076 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -105.97 150.86 25.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.643 ' N ' HD22 ' A' ' 79' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.622 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.523 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -100.98 109.21 21.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.967 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.523 ' CE1' ' HB3' ' A' ' 5' ' ' LYS . 15.9 m-85 -97.4 151.51 19.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 111.065 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.9 p -83.9 149.13 26.54 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.535 1.147 . . . . 0.0 110.363 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -53.55 -18.99 3.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.15 -38.13 89.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.311 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.47 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -58.63 -73.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 110.323 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.586 HG21 HG13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -35.3 -44.67 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.359 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.415 ' C ' ' N ' ' A' ' 15' ' ' HIS . 12.9 mm-40 -55.96 -78.97 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 110.335 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -47.55 -24.42 0.86 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.563 1.165 . . . . 0.0 109.197 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.415 ' N ' ' C ' ' A' ' 13' ' ' GLN . 82.3 m-70 -94.13 43.8 1.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.641 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.412 ' HG3' ' HB3' ' A' ' 50' ' ' ALA . 7.6 ttpp -110.16 32.94 4.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -129.82 161.71 30.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.167 . . . . 0.0 109.316 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.532 ' O ' HG23 ' A' ' 33' ' ' THR . 0.5 OUTLIER -47.35 -50.23 22.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.948 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.564 ' O ' HG21 ' A' ' 33' ' ' THR . 11.8 mptt -39.42 -58.82 1.17 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.8 m -135.83 96.49 3.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.013 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.4 m -102.29 109.87 21.66 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 110.383 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.409 ' O ' ' C ' ' A' ' 50' ' ' ALA . 11.0 m0 -109.05 162.39 14.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 107.962 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.483 ' CG1' ' HB2' ' A' ' 30' ' ' TYR . 14.7 p -154.0 119.74 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.586 HG13 HG21 ' A' ' 12' ' ' ILE . 23.4 mt -69.54 113.39 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.64 HD22 ' CD2' ' A' ' 30' ' ' TYR . 1.6 mp -122.18 115.73 22.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.4 ' C ' ' O ' ' A' ' 25' ' ' LEU . 7.6 p-80 38.83 60.31 1.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.622 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 64.5 m80 53.48 52.65 12.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.595 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.1 mttp -169.56 107.07 0.39 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.397 1.061 . . . . 0.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.812 HG23 HD11 ' A' ' 76' ' ' ILE . 10.2 m -69.1 140.37 18.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.575 1.172 . . . . 0.0 109.3 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.64 ' CD2' HD22 ' A' ' 25' ' ' LEU . 4.5 m-30 -116.81 107.84 15.12 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.49 1.119 . . . . 0.0 110.984 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -76.27 73.29 3.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' A' ' 36' ' ' LEU . 0.9 OUTLIER -90.81 38.51 0.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.564 HG21 ' O ' ' A' ' 19' ' ' LYS . 92.2 m -60.2 -54.99 39.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.378 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.52 -43.6 98.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.588 ' CD2' ' O ' ' A' ' 35' ' ' TYR . 88.0 t80 -90.05 27.14 1.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 111.0 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.609 ' C ' HD13 ' A' ' 36' ' ' LEU . 2.6 tm? -80.33 -49.11 11.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -89.95 -9.38 49.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.6 -21.26 28.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.338 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.625 ' CE1' HD21 ' A' ' 46' ' ' LEU . 5.5 t-160 -50.02 125.17 18.03 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 0.0 109.607 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.568 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.3 Cg_endo -74.94 -28.59 9.16 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.437 1.756 . . . . 0.0 111.081 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.46 -66.76 2.22 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.461 1.101 . . . . 0.0 111.066 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -173.99 146.54 8.79 Favored Glycine 0 CA--C 1.531 1.062 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.521 ' HA ' HD12 ' A' ' 46' ' ' LEU . 11.2 pt-20 -85.89 -29.91 23.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 0.766 . . . . 0.0 110.29 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.527 ' O ' ' N ' ' A' ' 48' ' ' GLU . 0.4 OUTLIER -73.75 -54.99 6.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.234 -179.911 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.42 ' H ' HG12 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -39.86 -29.45 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.625 HD21 ' CE1' ' A' ' 39' ' ' HIS . 2.0 mt -84.14 -63.54 1.33 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.632 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 1.1 mtm105 -57.2 -56.58 20.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.328 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.527 ' N ' ' O ' ' A' ' 44' ' ' GLU . 17.5 tp10 -33.27 -45.53 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.602 HE22 ' ND2' ' A' ' 57' ' ' ASN . 24.9 pt20 -130.73 47.4 2.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.32 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.632 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -68.5 -89.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.442 ' O ' ' HB ' ' A' ' 12' ' ' ILE . . . -42.61 -32.13 1.23 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.553 1.158 . . . . 0.0 111.023 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.464 ' O ' HD12 ' A' ' 24' ' ' ILE . . . -60.16 -137.54 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -136.89 109.91 7.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 0.757 . . . . 0.0 109.356 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.555 ' HB2' ' HG3' ' A' ' 49' ' ' GLN . . . -112.58 27.33 9.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.3 m -55.17 -59.05 5.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.361 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -66.33 -41.37 89.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 110.263 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.602 ' ND2' HE22 ' A' ' 49' ' ' GLN . 1.7 m120 -64.92 -14.33 59.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.813 ' CD1' ' CE1' ' A' ' 63' ' ' HIS . 78.0 t80 -98.57 -39.99 8.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 110.987 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -80.53 -34.98 35.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -57.42 -43.69 84.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.361 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.676 HG22 ' O ' ' A' ' 58' ' ' PHE . 9.5 m -67.22 -17.58 22.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.517 1.135 . . . . 0.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 61.31 84.02 0.06 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.538 1.149 . . . . 0.0 111.022 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.813 ' CE1' ' CD1' ' A' ' 58' ' ' PHE . 31.6 m80 -70.89 140.0 50.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 0.772 . . . . 0.0 109.668 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.0 p -80.63 170.04 16.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.973 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -52.15 -43.44 64.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.393 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -43.71 -41.13 4.63 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.531 1.145 . . . . 0.0 109.253 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.71 -46.72 71.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.123 . . . . 0.0 109.327 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.12 -46.88 3.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.263 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.11 -54.41 38.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 110.298 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.465 ' O ' ' C ' ' A' ' 71' ' ' SER . 1.2 mp -56.34 -66.2 0.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.592 ' HB3' ' CE2' ' A' ' 30' ' ' TYR . 58.8 m -33.65 -57.93 0.43 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.962 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.7 ' O ' HG22 ' A' ' 75' ' ' ILE . 1.9 tttt -56.28 -51.0 69.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.1 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -58.76 -30.56 67.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.378 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.543 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 40.2 m-85 -100.06 39.55 1.33 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.512 1.132 . . . . 0.0 111.028 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.7 HG22 ' O ' ' A' ' 72' ' ' LYS . 6.1 tt -114.69 140.0 37.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.812 HD11 HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -123.1 -37.82 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 109.356 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.445 ' N ' HG12 ' A' ' 76' ' ' ILE . . . 175.68 -167.98 40.1 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.548 1.155 . . . . 0.0 110.967 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -116.22 169.92 8.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 0.749 . . . . 0.0 110.347 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.724 ' C ' HD22 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -102.49 150.15 23.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.555 1.159 . . . . 0.0 109.31 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.527 ' O ' HD22 ' A' ' 79' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.612 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.415 ' CE ' ' HA ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 32.9 m-85 -100.96 113.82 27.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 111.068 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -101.57 160.0 14.81 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.524 1.14 . . . . 0.0 110.982 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.435 ' C ' ' N ' ' A' ' 10' ' ' GLU . 1.5 p -89.71 140.27 29.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.383 1.052 . . . . 0.0 110.401 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.489 HD23 ' N ' ' A' ' 10' ' ' GLU . 1.3 pt? -47.23 -22.54 0.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.245 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.489 ' N ' HD23 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -63.2 -31.68 72.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.496 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.6 OUTLIER -62.45 -75.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.281 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.522 HG21 HG13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -33.31 -40.28 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.326 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 11' ' ' GLU . 5.1 mm100 -59.85 -70.42 0.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.345 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -54.12 -29.97 46.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.363 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.426 ' NE2' ' HG3' ' A' ' 11' ' ' GLU . 75.4 m-70 -89.76 46.98 1.41 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.135 . . . . 0.0 109.565 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -109.63 20.23 18.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -116.5 169.77 9.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.705 ' O ' HG23 ' A' ' 33' ' ' THR . 0.3 OUTLIER -57.85 -49.73 75.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.967 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.553 ' O ' HG21 ' A' ' 33' ' ' THR . 0.0 OUTLIER -44.37 -45.73 9.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 42.1 m -138.07 96.59 3.23 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.54 1.15 . . . . 0.0 110.081 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.557 HG21 HD23 ' A' ' 36' ' ' LEU . 2.4 m -103.17 110.0 21.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 110.369 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 11.1 m0 -116.79 157.53 25.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 107.974 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.622 HG21 ' HB3' ' A' ' 54' ' ' ALA . 3.9 p -156.09 122.77 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.249 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.522 HG13 HG21 ' A' ' 12' ' ' ILE . 40.4 mt -69.01 114.54 6.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.616 HD13 HG22 ' A' ' 23' ' ' VAL . 1.1 mp -123.65 115.89 22.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 40.03 55.63 2.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 109.596 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 56.93 53.06 8.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.526 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -170.04 106.2 0.33 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.582 1.176 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.756 HG23 HD11 ' A' ' 76' ' ' ILE . 10.0 m -66.69 139.54 20.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.782 ' CE1' HD13 ' A' ' 75' ' ' ILE . 4.7 m-30 -116.57 108.58 16.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 110.992 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -79.63 77.44 6.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.472 HD12 ' HA ' ' A' ' 36' ' ' LEU . 0.6 OUTLIER -92.54 40.15 1.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.122 . . . . 0.0 109.264 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.705 HG23 ' O ' ' A' ' 18' ' ' SER . 60.3 m -59.08 -51.15 71.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.11 . . . . 0.0 110.426 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.35 -40.37 81.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.371 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.568 ' CD2' ' O ' ' A' ' 35' ' ' TYR . 82.1 t80 -90.07 24.4 2.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.575 1.172 . . . . 0.0 110.995 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.6 ' C ' HD13 ' A' ' 36' ' ' LEU . 1.5 tm? -80.65 -49.08 11.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.234 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -89.93 -7.95 52.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.222 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -87.09 -23.36 24.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.586 1.179 . . . . 0.0 110.336 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.657 ' CE1' HD21 ' A' ' 46' ' ' LEU . 5.2 t-160 -49.92 126.43 19.36 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 109.585 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.594 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.3 Cg_endo -75.03 -29.81 7.78 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.465 1.771 . . . . 0.0 110.958 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.13 -67.77 1.91 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.535 1.147 . . . . 0.0 110.949 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.07 149.91 11.22 Favored Glycine 0 CA--C 1.531 1.077 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.477 ' HA ' HD12 ' A' ' 46' ' ' LEU . 9.4 pt-20 -87.72 -22.8 24.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 0.797 . . . . 0.0 110.255 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 48' ' ' GLU . 2.1 mt-10 -81.35 -54.46 5.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.265 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.42 ' H ' HG12 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -39.98 -29.18 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.657 HD21 ' CE1' ' A' ' 39' ' ' HIS . 1.3 mt -84.53 -60.73 1.98 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.596 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 23.9 mtm105 -58.62 -57.35 13.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.344 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 44' ' ' GLU . 23.7 tt0 -32.96 -45.3 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.336 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.448 ' HG3' ' HB2' ' A' ' 54' ' ' ALA . 8.9 pt20 -130.56 49.77 2.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.439 1.087 . . . . 0.0 110.247 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.596 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -70.74 -91.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 109.293 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.42 ' O ' ' HB ' ' A' ' 12' ' ' ILE . . . -40.11 -34.15 0.55 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.456 1.097 . . . . 0.0 110.937 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 51' ' ' GLY . . . -59.35 -143.67 0.01 OUTLIER Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -126.91 114.3 17.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 0.784 . . . . 0.0 109.252 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.622 ' HB3' HG21 ' A' ' 23' ' ' VAL . . . -115.93 25.28 10.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.7 m -57.9 -62.44 1.81 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.372 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -62.67 -39.32 93.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.59 1.181 . . . . 0.0 110.353 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.626 ' O ' HG13 ' A' ' 61' ' ' VAL . 1.8 m120 -64.42 -22.65 67.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.635 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.3 OUTLIER -88.69 -40.04 13.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 111.034 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -78.4 -35.97 46.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 110.256 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -56.25 -44.68 79.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.635 HG22 ' O ' ' A' ' 58' ' ' PHE . 5.9 m -69.23 -17.48 21.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 61.59 83.4 0.07 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.486 1.116 . . . . 0.0 110.958 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.495 ' CE1' ' CG2' ' A' ' 61' ' ' VAL . 38.1 m80 -71.28 140.02 50.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 0.751 . . . . 0.0 109.583 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 38.5 m -85.79 169.94 12.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.422 1.076 . . . . 0.0 109.98 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.478 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.1 m -48.13 -48.01 34.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 110.443 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.1 -38.32 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.2 -46.32 42.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 65' ' ' THR . 3.7 mtt-85 -46.28 -37.07 6.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 110.308 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -71.68 -54.51 10.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.16 . . . . 0.0 110.319 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.528 ' O ' ' N ' ' A' ' 73' ' ' THR . 0.4 OUTLIER -57.57 -62.53 1.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.344 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.601 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 3.2 p -39.31 -55.48 1.71 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 0.0 109.965 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.888 ' O ' HG22 ' A' ' 75' ' ' ILE . 0.3 OUTLIER -59.43 -36.28 75.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.385 1.053 . . . . 0.0 109.265 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.528 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -72.97 -29.79 63.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.383 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.535 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 36.3 m-85 -100.19 37.86 1.59 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 110.98 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.888 HG22 ' O ' ' A' ' 72' ' ' LYS . 8.4 tp -107.83 139.82 28.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.445 1.091 . . . . 0.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.756 HD11 HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -124.57 -33.86 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.09 . . . . 0.0 109.294 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.438 ' N ' HG12 ' A' ' 76' ' ' ILE . . . 170.51 -167.72 40.84 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -117.17 170.02 8.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 0.761 . . . . 0.0 110.228 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.718 ' C ' HD22 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -101.57 148.99 24.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.351 179.931 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.621 ' O ' HD22 ' A' ' 79' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.596 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.416 ' HA ' ' CE ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -100.98 118.94 37.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -107.35 160.08 15.89 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.425 1.078 . . . . 0.0 110.952 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.9 p -90.47 146.33 24.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 110.428 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -51.42 -20.42 1.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -64.2 -34.6 78.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.575 1.172 . . . . 0.0 110.32 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.485 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.1 OUTLIER -60.09 -75.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 110.342 179.928 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.51 ' H ' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -34.28 -44.61 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.42 1.075 . . . . 0.0 109.242 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -54.6 -63.49 1.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.108 . . . . 0.0 110.27 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.3 ptpm? -63.01 -24.37 67.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.273 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.423 ' C ' ' O ' ' A' ' 20' ' ' SER . 57.1 m-70 -94.62 44.38 1.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 109.643 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.83 28.92 8.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -129.4 169.81 14.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.688 ' O ' HG23 ' A' ' 33' ' ' THR . 1.0 OUTLIER -55.19 -49.53 71.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.477 1.11 . . . . 0.0 110.04 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.72 ' O ' HG21 ' A' ' 33' ' ' THR . 5.4 ttmt -42.63 -54.51 3.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 15' ' ' HIS . 4.7 m -133.1 90.39 2.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.013 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.734 HG21 HD23 ' A' ' 36' ' ' LEU . 1.6 m -96.39 111.38 23.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.427 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.402 ' O ' ' C ' ' A' ' 50' ' ' ALA . 10.6 m0 -118.75 159.45 23.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 108.039 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.616 ' CG2' ' HB3' ' A' ' 54' ' ' ALA . 8.2 p -154.98 121.72 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.49 HG13 HG21 ' A' ' 12' ' ' ILE . 24.3 mt -70.92 110.54 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.62 HD22 ' CD2' ' A' ' 30' ' ' TYR . 1.1 mp -118.49 124.93 48.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.525 ' CE1' ' HB3' ' A' ' 25' ' ' LEU . 0.0 OUTLIER 39.67 43.83 1.17 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 109.565 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.4 m80 67.04 49.61 1.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 109.559 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.494 ' HG2' ' CB ' ' A' ' 78' ' ' GLU . 4.2 mtmm -166.03 115.71 0.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.867 HG23 HD11 ' A' ' 76' ' ' ILE . 11.3 m -69.19 141.05 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.258 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.62 ' CD2' HD22 ' A' ' 25' ' ' LEU . 3.3 m-30 -117.87 107.58 14.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 111.031 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -76.49 82.61 3.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 36' ' ' LEU . 0.9 OUTLIER -101.38 36.49 2.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.28 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.72 HG21 ' O ' ' A' ' 19' ' ' LYS . 16.4 m -60.0 -42.5 94.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 110.385 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.5 ttmm -74.11 -40.73 62.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.544 ' HB2' ' CZ ' ' A' ' 74' ' ' TYR . 91.9 t80 -89.97 17.59 6.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.62 1.2 . . . . 0.0 110.972 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.734 HD23 HG21 ' A' ' 21' ' ' THR . 1.8 tm? -71.86 -48.31 46.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.36 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -90.0 -7.58 53.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.321 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -86.76 -23.87 25.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.23 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.679 ' CE1' HD21 ' A' ' 46' ' ' LEU . 5.0 t-160 -49.93 126.48 19.44 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 109.62 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.591 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.2 Cg_endo -75.01 -28.3 9.26 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.507 1.793 . . . . 0.0 110.948 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.48 -68.76 1.55 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.456 1.097 . . . . 0.0 110.986 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.05 148.34 9.94 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.47 ' HA ' HD12 ' A' ' 46' ' ' LEU . 0.4 OUTLIER -85.58 -17.77 35.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.547 0.792 . . . . 0.0 110.302 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' A' ' 48' ' ' GLU . 5.4 tt0 -86.09 -53.8 4.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.367 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.406 ' H ' HG12 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -40.28 -28.9 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.679 HD21 ' CE1' ' A' ' 39' ' ' HIS . 0.8 OUTLIER -85.1 -61.81 1.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.503 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 24.0 mtm180 -56.12 -57.13 13.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 110.288 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 44' ' ' GLU . 2.9 tp10 -34.67 -44.66 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 110.254 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.503 ' HG3' ' HB2' ' A' ' 54' ' ' ALA . 5.1 pt20 -131.47 54.04 1.95 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.429 1.081 . . . . 0.0 110.294 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.503 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -77.39 -90.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.405 ' O ' ' HB ' ' A' ' 12' ' ' ILE . . . -40.18 -33.71 0.52 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.465 1.103 . . . . 0.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.49 -138.83 0.01 OUTLIER Glycine 0 CA--C 1.529 0.932 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -132.36 113.83 13.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.423 0.72 . . . . 0.0 109.339 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.616 ' HB3' ' CG2' ' A' ' 23' ' ' VAL . . . -115.17 24.59 11.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.42 1.075 . . . . 0.0 109.291 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.6 m -54.71 -61.4 2.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.435 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -63.9 -40.71 97.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.256 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.555 ' O ' HG13 ' A' ' 61' ' ' VAL . 17.1 m-80 -63.86 -17.91 63.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.637 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.4 OUTLIER -94.86 -40.02 9.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 110.965 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -78.65 -36.37 43.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.256 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -57.37 -44.01 84.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.637 HG22 ' O ' ' A' ' 58' ' ' PHE . 6.1 m -69.01 -16.3 20.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 59.03 84.97 0.04 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.481 1.113 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.473 ' CE1' ' CG2' ' A' ' 61' ' ' VAL . 29.3 m80 -70.15 139.98 52.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 0.777 . . . . 0.0 109.542 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 m -82.15 169.95 16.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.955 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -50.74 -46.57 59.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.408 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -41.62 -38.64 1.42 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.435 1.085 . . . . 0.0 109.244 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.68 -46.65 62.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.448 1.093 . . . . 0.0 109.325 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 65' ' ' THR . 0.0 OUTLIER -42.4 -42.96 3.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.443 1.089 . . . . 0.0 110.323 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.88 -53.89 23.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.422 1.076 . . . . 0.0 110.289 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.48 ' O ' ' C ' ' A' ' 71' ' ' SER . 1.2 mp -56.94 -65.37 0.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.348 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.618 ' HB3' ' CE2' ' A' ' 30' ' ' TYR . 53.3 m -32.36 -58.97 0.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.004 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.416 ' O ' HG22 ' A' ' 75' ' ' ILE . 0.7 OUTLIER -56.86 -50.78 71.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 109.342 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.475 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -56.9 -32.99 66.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.392 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.544 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 50.2 m-85 -99.47 40.65 1.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.157 . . . . 0.0 111.001 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.416 HD11 ' HD2' ' A' ' 28' ' ' LYS . 3.2 tt -115.43 139.92 39.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.365 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.867 HD11 HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -121.25 -38.26 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.457 ' N ' HG12 ' A' ' 76' ' ' ILE . . . 176.64 -162.82 31.53 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.461 1.101 . . . . 0.0 110.93 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.494 ' CB ' ' HG2' ' A' ' 28' ' ' LYS . 6.1 pt-20 -119.73 162.44 19.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 0.728 . . . . 0.0 110.406 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 1.087 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -94.83 144.22 25.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.533 ' N ' HD22 ' A' ' 79' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.117 . . . . 0.0 109.616 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.575 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -100.92 104.93 16.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 111.026 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.575 ' CE1' ' HB3' ' A' ' 5' ' ' LYS . 14.5 m-85 -91.36 149.67 21.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.574 1.171 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.409 ' C ' ' N ' ' A' ' 10' ' ' GLU . 1.2 p -79.78 142.22 35.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.376 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.415 ' O ' HG12 ' A' ' 12' ' ' ILE . 1.3 pt? -50.07 -20.35 0.95 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.226 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.409 ' N ' ' C ' ' A' ' 8' ' ' THR . 0.8 OUTLIER -62.07 -30.93 71.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.308 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.52 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -66.18 -75.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.313 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.52 ' C ' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -31.56 -42.37 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.334 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 11' ' ' GLU . 2.8 mm-40 -57.71 -73.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.332 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.43 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 1.8 ptpm? -48.56 -23.24 0.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.224 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.402 ' N ' ' C ' ' A' ' 13' ' ' GLN . 58.6 m-70 -92.23 49.99 1.58 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.53 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.5 mtmt -110.17 26.91 10.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 109.251 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -132.19 166.28 22.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.642 ' O ' HG23 ' A' ' 33' ' ' THR . 0.2 OUTLIER -54.7 -47.24 73.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 110.043 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.6 ' O ' HG21 ' A' ' 33' ' ' THR . 0.3 OUTLIER -40.07 -51.86 2.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.3 m -140.07 98.26 3.41 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.581 1.176 . . . . 0.0 109.968 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.581 HG21 ' CD2' ' A' ' 36' ' ' LEU . 0.4 OUTLIER -104.19 109.96 21.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.36 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.476 ' CD1' ' HA ' ' A' ' 31' ' ' ASP . 8.6 m0 -113.01 158.42 20.3 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.524 1.14 . . . . 0.0 107.943 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.52 ' CG2' ' HB3' ' A' ' 54' ' ' ALA . 10.6 p -155.13 121.2 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 0.0 109.339 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.444 HG13 HG21 ' A' ' 12' ' ' ILE . 39.3 mt -70.18 110.42 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.579 HD22 ' CD2' ' A' ' 30' ' ' TYR . 0.9 OUTLIER -119.45 119.24 33.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.387 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.46 ' NE2' ' CD ' ' A' ' 59' ' ' GLU . 16.9 m80 39.81 55.91 2.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.611 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.6 m170 54.76 51.15 14.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.61 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.439 ' HD2' HD11 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -167.65 101.71 0.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.781 HG23 HD11 ' A' ' 76' ' ' ILE . 5.5 m -60.96 141.46 17.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.849 ' CE1' HD13 ' A' ' 75' ' ' ILE . 3.7 m-30 -116.84 104.46 11.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 111.029 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.476 ' HA ' ' CD1' ' A' ' 22' ' ' TRP . 48.0 t0 -72.96 71.05 1.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.418 HD23 HG12 ' A' ' 23' ' ' VAL . 0.7 OUTLIER -89.45 42.83 1.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.271 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.642 HG23 ' O ' ' A' ' 18' ' ' SER . 65.5 m -64.5 -54.13 37.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.353 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.98 -39.57 95.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.532 ' HB2' ' CZ ' ' A' ' 74' ' ' TYR . 88.6 t80 -90.05 17.47 6.88 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.491 1.119 . . . . 0.0 111.033 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.584 ' C ' HD13 ' A' ' 36' ' ' LEU . 2.6 tm? -72.32 -50.03 30.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -89.46 -8.21 53.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.281 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -85.67 -24.25 27.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.266 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.659 ' CE1' HD21 ' A' ' 46' ' ' LEU . 5.4 t-160 -49.8 126.15 18.28 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.481 1.113 . . . . 0.0 109.656 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.592 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.5 Cg_endo -75.02 -30.45 7.12 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.492 1.785 . . . . 0.0 111.001 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.67 -66.77 2.32 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.523 1.139 . . . . 0.0 110.949 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.07 153.89 18.04 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.428 ' HA ' HD12 ' A' ' 46' ' ' LEU . 15.2 pt-20 -90.47 -25.7 20.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 0.734 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' A' ' 48' ' ' GLU . 10.5 tt0 -79.49 -52.82 7.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.323 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.415 ' H ' HG12 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -39.94 -29.49 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.659 HD21 ' CE1' ' A' ' 39' ' ' HIS . 0.6 OUTLIER -87.17 -52.86 5.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.36 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.599 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 1.7 mtp85 -62.63 -60.01 4.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 44' ' ' GLU . 0.3 OUTLIER -34.08 -44.57 0.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.429 1.08 . . . . 0.0 110.285 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.428 ' OE1' ' ND2' ' A' ' 57' ' ' ASN . 11.8 pt20 -128.83 48.74 2.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 110.29 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.599 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -73.01 -91.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.422 ' CA ' ' HB ' ' A' ' 12' ' ' ILE . . . -42.23 -32.41 1.11 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.5 -137.24 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -135.09 114.95 12.91 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.499 0.764 . . . . 0.0 109.268 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.52 ' HB3' ' CG2' ' A' ' 23' ' ' VAL . . . -113.95 26.14 10.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.258 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.411 ' O ' ' HB3' ' A' ' 58' ' ' PHE . 28.8 m -50.04 -72.06 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.396 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.491 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 9.9 mt-10 -60.76 -36.49 79.08 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.568 1.168 . . . . 0.0 110.285 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.428 ' ND2' ' OE1' ' A' ' 49' ' ' GLN . 2.8 m120 -65.97 -16.19 63.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.804 ' CD1' ' CE1' ' A' ' 63' ' ' HIS . 71.5 t80 -99.38 -40.05 8.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.994 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.46 ' CD ' ' NE2' ' A' ' 26' ' ' HIS . 2.6 mm-40 -80.98 -30.42 35.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.368 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 40.3 t0 -58.87 -44.15 91.04 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.604 HG22 ' O ' ' A' ' 58' ' ' PHE . 5.7 m -69.12 -15.26 19.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 59.62 84.18 0.05 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.454 1.096 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.804 ' CE1' ' CD1' ' A' ' 58' ' ' PHE . 35.7 m80 -70.75 140.17 51.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 109.573 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 68.1 m -82.2 169.94 16.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.94 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -50.07 -47.37 53.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.404 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 65' ' ' THR . 0.5 OUTLIER -40.4 -41.4 1.38 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.97 -46.92 66.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 65' ' ' THR . 43.4 ttt85 -42.95 -40.22 2.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.345 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.7 -49.96 48.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.582 1.176 . . . . 0.0 110.347 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 73' ' ' THR . 0.4 OUTLIER -60.58 -65.03 0.75 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.397 1.061 . . . . 0.0 109.287 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.59 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 2.3 p -37.19 -54.82 1.01 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.033 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.872 ' O ' HG22 ' A' ' 75' ' ' ILE . 10.6 tptt -60.3 -42.36 95.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.347 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.504 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -66.34 -30.11 70.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.615 1.197 . . . . 0.0 110.356 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.532 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 36.8 m-85 -100.11 38.4 1.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 111.062 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.872 HG22 ' O ' ' A' ' 72' ' ' LYS . 8.0 tp -108.45 139.85 29.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.222 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.781 HD11 HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -126.82 -34.98 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.446 1.091 . . . . 0.0 109.354 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.442 ' N ' HG12 ' A' ' 76' ' ' ILE . . . 167.85 -162.97 36.77 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.581 1.176 . . . . 0.0 111.032 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -121.06 170.0 9.95 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.558 0.799 . . . . 0.0 110.264 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.767 ' C ' HD22 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -108.55 151.1 26.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.473 ' O ' HD22 ' A' ' 79' ' ' LEU . 4.3 t-160 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.664 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.501 ' HA ' ' CE ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -100.79 118.67 37.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 111.026 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -109.24 152.29 25.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.943 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.4 p -80.64 151.46 28.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.352 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.71 -16.89 12.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.103 . . . . 0.0 109.323 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -68.27 -36.14 78.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.355 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.486 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -57.77 -74.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 110.292 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.486 ' C ' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -33.78 -46.87 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -53.17 -69.14 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 110.295 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 0.9 OUTLIER -56.23 -18.8 11.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.445 1.091 . . . . 0.0 109.326 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.407 ' NE2' ' HG3' ' A' ' 11' ' ' GLU . 75.3 m-70 -99.56 43.39 1.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.536 1.148 . . . . 0.0 109.597 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.446 ' HG3' ' HB3' ' A' ' 50' ' ' ALA . 8.4 ttpp -109.6 29.26 7.75 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.469 1.106 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -126.83 161.19 28.82 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.595 ' O ' HG23 ' A' ' 33' ' ' THR . 14.1 m -49.63 -48.02 49.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.54 1.15 . . . . 0.0 109.956 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.708 ' O ' HG21 ' A' ' 33' ' ' THR . 0.0 OUTLIER -40.96 -54.43 2.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.5 m -139.96 98.22 3.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.565 1.166 . . . . 0.0 109.932 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.1 m -103.3 112.66 25.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.379 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.422 ' O ' ' C ' ' A' ' 50' ' ' ALA . 13.3 m0 -110.72 163.55 13.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 108.023 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.725 ' CG2' ' HB3' ' A' ' 54' ' ' ALA . 5.4 p -159.71 115.27 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.406 HD12 ' O ' ' A' ' 52' ' ' GLY . 7.8 mt -65.34 110.95 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.355 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.678 HD13 HG22 ' A' ' 23' ' ' VAL . 1.1 mp -117.58 118.65 32.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.468 ' CE1' ' HB3' ' A' ' 25' ' ' LEU . 0.1 OUTLIER 39.7 53.83 2.5 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.54 1.15 . . . . 0.0 109.58 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.488 ' O ' ' CG ' ' A' ' 28' ' ' LYS . 1.3 m-70 59.46 51.83 6.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.64 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.617 ' HD2' HD11 ' A' ' 75' ' ' ILE . 1.9 mtmm -169.4 109.22 0.44 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 0.0 109.253 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.803 HG23 HD11 ' A' ' 76' ' ' ILE . 10.1 m -68.88 140.48 18.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.608 ' CD2' HD22 ' A' ' 25' ' ' LEU . 4.3 m-30 -116.92 108.74 16.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -76.79 70.62 3.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 36' ' ' LEU . 0.6 OUTLIER -89.78 42.66 1.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.708 HG21 ' O ' ' A' ' 19' ' ' LYS . 97.7 m -62.95 -53.0 60.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.16 . . . . 0.0 110.454 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -39.8 93.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.528 ' HB2' ' CZ ' ' A' ' 74' ' ' TYR . 86.7 t80 -89.62 18.49 5.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.617 ' C ' HD13 ' A' ' 36' ' ' LEU . 2.5 tm? -73.92 -49.71 23.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.93 -8.29 52.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.326 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -86.07 -22.48 27.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.257 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.626 ' CE1' HD21 ' A' ' 46' ' ' LEU . 5.4 t-160 -49.85 126.25 18.69 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.596 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.594 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.0 Cg_endo -75.08 -30.07 7.44 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.595 1.839 . . . . 0.0 110.916 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.07 -68.11 1.78 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.439 1.087 . . . . 0.0 110.966 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.03 147.8 9.58 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.525 ' HA ' HD12 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -85.54 -25.94 26.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 0.745 . . . . 0.0 110.33 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 48' ' ' GLU . 6.5 mm-40 -77.17 -54.67 6.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 110.298 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.405 HG12 ' H ' ' A' ' 45' ' ' VAL . 0.2 OUTLIER -39.97 -29.24 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.348 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.626 HD21 ' CE1' ' A' ' 39' ' ' HIS . 1.2 mt -84.79 -65.84 0.96 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.577 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -53.51 -54.92 30.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 110.284 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 44' ' ' GLU . 50.1 tt0 -35.8 -44.84 0.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.417 1.073 . . . . 0.0 110.269 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.432 ' HG3' ' HB2' ' A' ' 54' ' ' ALA . 14.7 pt20 -131.49 49.03 2.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.261 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.577 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -70.9 -93.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.353 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.433 ' CA ' ' HB ' ' A' ' 12' ' ' ILE . . . -39.16 -34.05 0.31 Allowed Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.571 1.17 . . . . 0.0 111.043 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 51' ' ' GLY . . . -59.64 -140.55 0.01 OUTLIER Glycine 0 CA--C 1.531 1.041 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -129.36 111.37 12.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.581 0.813 . . . . 0.0 109.274 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.725 ' HB3' ' CG2' ' A' ' 23' ' ' VAL . . . -113.57 25.38 11.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.8 m -57.14 -60.16 4.02 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.425 1.078 . . . . 0.0 110.422 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -63.33 -44.51 94.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.329 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.615 ' O ' HG13 ' A' ' 61' ' ' VAL . 1.6 m-80 -59.95 -19.9 54.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.643 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.4 OUTLIER -93.15 -39.8 10.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 111.005 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -77.86 -37.59 47.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 110.273 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -56.88 -43.63 81.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.643 HG22 ' O ' ' A' ' 58' ' ' PHE . 5.4 m -69.92 -16.8 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 58.92 85.4 0.04 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.514 1.134 . . . . 0.0 110.977 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.418 ' CE1' ' CG2' ' A' ' 61' ' ' VAL . 30.7 m80 -70.05 139.82 52.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 0.75 . . . . 0.0 109.644 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.2 p -83.29 168.96 16.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.059 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -50.38 -42.09 52.88 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 0.0 110.406 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -45.25 -40.34 7.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.63 -47.89 68.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.7 mmt-85 -48.46 -24.69 1.35 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 110.343 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -76.23 -55.45 5.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.284 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.527 ' N ' HD13 ' A' ' 70' ' ' LEU . 0.1 OUTLIER -66.35 -61.33 2.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.247 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.575 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -31.75 -55.9 0.28 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.436 1.085 . . . . 0.0 110.026 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.651 ' O ' HG22 ' A' ' 75' ' ' ILE . 0.5 OUTLIER -58.46 -53.18 61.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.293 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.475 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.7 OUTLIER -57.63 -29.33 64.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.399 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.528 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 45.7 m-85 -99.85 39.04 1.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 0.0 110.961 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.651 HG22 ' O ' ' A' ' 72' ' ' LYS . 7.3 tt -114.61 140.09 37.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.803 HD11 HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -123.75 -38.3 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.462 ' N ' HG12 ' A' ' 76' ' ' ILE . . . 176.15 -166.53 37.68 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.543 1.152 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -116.1 167.28 11.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 0.745 . . . . 0.0 110.279 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 1.103 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -99.07 141.4 31.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.216 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.548 ' N ' HD22 ' A' ' 79' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.638 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.476 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 8.7 mmmm . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -100.74 116.18 32.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 111.012 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.476 ' CE1' ' HB3' ' A' ' 5' ' ' LYS . 6.3 m-85 -107.2 138.17 43.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 111.009 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.1 p -69.57 157.31 37.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.571 1.169 . . . . 0.0 110.36 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.511 ' HA ' HD11 ' A' ' 12' ' ' ILE . 1.3 pt? -58.55 -15.26 10.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.445 ' N ' HD23 ' A' ' 9' ' ' LEU . 0.5 OUTLIER -68.62 -39.81 80.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.327 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.54 ' CG ' ' NE2' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -54.93 -73.38 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.328 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.511 ' C ' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -30.71 -57.22 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -42.54 -57.7 2.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 110.339 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 11' ' ' GLU . 46.2 mmtt -52.17 -44.31 64.56 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.507 1.13 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.54 ' NE2' ' CG ' ' A' ' 11' ' ' GLU . 3.6 m-70 -79.34 59.09 2.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.087 . . . . 0.0 109.595 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -110.1 15.77 22.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -122.93 169.09 11.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.758 ' O ' HG23 ' A' ' 33' ' ' THR . 0.9 OUTLIER -58.75 -44.95 90.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.023 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.683 ' O ' HG21 ' A' ' 33' ' ' THR . 18.2 mttm -45.31 -45.39 12.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.6 m -139.96 100.1 3.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.971 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.417 HG21 HD23 ' A' ' 36' ' ' LEU . 1.5 m -109.27 110.0 21.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.39 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.421 ' CZ3' ' CD2' ' A' ' 7' ' ' TYR . 8.2 m0 -115.12 159.66 20.61 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.566 1.166 . . . . 0.0 107.995 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.662 HG22 HD13 ' A' ' 25' ' ' LEU . 3.9 p -158.64 120.67 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.325 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.521 HD12 ' O ' ' A' ' 52' ' ' GLY . 6.1 mt -69.38 115.4 8.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.662 HD13 HG22 ' A' ' 23' ' ' VAL . 1.7 mp -122.27 115.21 21.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.364 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.563 ' O ' ' CG ' ' A' ' 27' ' ' HIS . 14.3 p-80 39.2 60.53 1.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.167 . . . . 0.0 109.569 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.563 ' CG ' ' O ' ' A' ' 26' ' ' HIS . 32.6 p-80 52.98 51.7 15.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.624 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.538 ' CE ' HD11 ' A' ' 75' ' ' ILE . 1.1 mttp -169.41 100.62 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.802 HG23 HD11 ' A' ' 76' ' ' ILE . 5.7 m -63.95 141.99 17.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.658 ' CD2' HD22 ' A' ' 25' ' ' LEU . 4.5 m-30 -117.68 107.68 14.5 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.501 1.126 . . . . 0.0 110.965 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.403 ' HA ' ' CD1' ' A' ' 22' ' ' TRP . 10.9 t0 -76.95 79.11 3.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -98.68 54.22 1.03 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 0.0 109.321 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.758 HG23 ' O ' ' A' ' 18' ' ' SER . 89.6 m -74.9 -45.57 41.79 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 110.433 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.14 -37.69 69.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.536 ' HB2' ' CZ ' ' A' ' 74' ' ' TYR . 91.7 t80 -88.91 14.93 9.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.529 HD21 ' HG3' ' A' ' 47' ' ' ARG . 1.7 tm? -69.91 -48.72 57.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.68 -7.96 53.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 110.335 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.33 -24.79 25.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 110.325 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.711 ' CE1' HD21 ' A' ' 46' ' ' LEU . 5.9 t-160 -50.25 125.19 19.11 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.567 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.55 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.5 Cg_endo -74.95 -28.33 9.36 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.474 1.776 . . . . 0.0 111.035 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.97 -68.61 1.6 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.511 1.132 . . . . 0.0 111.032 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.1 144.28 7.48 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.408 ' HA ' HD12 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -83.77 -9.59 58.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 0.746 . . . . 0.0 110.303 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.479 ' O ' ' N ' ' A' ' 48' ' ' GLU . 0.5 OUTLIER -94.8 -54.04 3.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 110.319 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 44' ' ' GLU . 0.2 OUTLIER -39.97 -29.14 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.711 HD21 ' CE1' ' A' ' 39' ' ' HIS . 0.7 OUTLIER -82.95 -64.16 1.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 109.327 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.643 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 10.6 mtm180 -54.67 -55.37 30.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 44' ' ' GLU . 4.9 tt0 -34.05 -41.1 0.1 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 110.261 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -136.24 46.59 2.27 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 0.0 110.315 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.643 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -67.31 -93.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.423 ' CA ' ' HB ' ' A' ' 12' ' ' ILE . . . -40.04 -30.65 0.26 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.545 1.153 . . . . 0.0 111.018 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.521 ' O ' HD12 ' A' ' 24' ' ' ILE . . . -60.35 -138.18 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -134.29 110.86 9.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 0.791 . . . . 0.0 109.271 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.517 ' HB3' HG21 ' A' ' 23' ' ' VAL . . . -114.05 21.18 15.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.8 m -50.26 -58.61 5.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.419 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.521 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 5.7 mt-10 -69.46 -41.92 75.59 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.494 1.122 . . . . 0.0 110.264 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -64.31 -12.0 37.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.784 ' CD1' ' CE1' ' A' ' 63' ' ' HIS . 68.9 t80 -99.08 -49.33 4.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.988 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 60' ' ' ASP . 1.0 OUTLIER -75.86 -27.97 58.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.309 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.521 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 14.1 t0 -59.37 -46.13 89.5 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.753 HG22 ' O ' ' A' ' 58' ' ' PHE . 8.0 m -66.01 -18.17 23.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 66.53 84.4 0.09 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.461 1.1 . . . . 0.0 110.925 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.784 ' CE1' ' CD1' ' A' ' 58' ' ' PHE . 36.6 m80 -72.82 140.08 47.42 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 0.756 . . . . 0.0 109.554 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.56 169.75 14.1 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.528 1.142 . . . . 0.0 109.993 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 68' ' ' ARG . 0.9 OUTLIER -49.49 -45.19 46.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.339 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -42.05 -37.95 1.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.346 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -73.12 -45.71 55.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.232 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 65' ' ' THR . 1.0 OUTLIER -48.44 -25.83 1.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.09 . . . . 0.0 110.309 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.43 -52.89 7.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.327 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.492 ' O ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -64.52 -62.75 1.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.358 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.587 ' HB3' ' CE2' ' A' ' 30' ' ' TYR . 34.3 m -32.07 -54.5 0.3 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.947 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.679 ' O ' HG22 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -59.96 -53.91 52.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.46 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.7 OUTLIER -56.32 -29.6 61.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.355 -179.928 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.536 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 45.9 m-85 -100.12 37.21 1.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.679 HG22 ' O ' ' A' ' 72' ' ' LYS . 7.1 tt -112.62 140.58 31.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.802 HD11 HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -124.12 -38.38 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.459 ' N ' HG12 ' A' ' 76' ' ' ILE . . . 179.83 -157.67 20.7 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.484 1.115 . . . . 0.0 111.012 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.409 ' HA ' ' HA ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -125.29 160.3 29.62 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 0.769 . . . . 0.0 110.351 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 1.023 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -83.22 144.22 29.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.074 . . . . 0.0 109.272 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.552 ' O ' HD22 ' A' ' 79' ' ' LEU . 4.7 t60 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.6 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.464 ' HA ' ' CE ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -100.98 117.5 35.15 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.465 1.103 . . . . 0.0 111.022 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.456 ' CE1' ' HG3' ' A' ' 5' ' ' LYS . 13.7 m-85 -107.84 150.2 27.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.389 1.055 . . . . 0.0 111.041 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.409 ' C ' ' N ' ' A' ' 10' ' ' GLU . 2.2 p -84.75 146.93 27.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.395 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -49.38 -21.63 0.94 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.409 ' N ' ' C ' ' A' ' 8' ' ' THR . 3.0 mt-10 -61.93 -29.7 70.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 110.269 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.469 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -67.32 -75.05 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.296 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.511 ' H ' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -35.28 -41.59 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -57.21 -77.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.416 ' HE3' ' NE2' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -50.29 -24.33 2.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 109.373 179.909 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.455 ' CD2' ' HG2' ' A' ' 11' ' ' GLU . 69.9 m-70 -94.22 44.53 1.12 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.603 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.464 ' HG3' ' HB3' ' A' ' 50' ' ' ALA . 15.8 ttpt -110.18 22.41 15.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -118.4 169.38 9.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.613 ' O ' HG23 ' A' ' 33' ' ' THR . 0.2 OUTLIER -56.58 -44.96 81.55 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.521 1.138 . . . . 0.0 110.003 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.662 ' O ' HG21 ' A' ' 33' ' ' THR . 0.0 OUTLIER -45.56 -51.94 11.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.5 m -135.44 96.33 3.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.049 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.702 HG21 HD23 ' A' ' 36' ' ' LEU . 1.4 m -98.45 109.87 22.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 110.402 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.44 ' CD1' ' HA ' ' A' ' 31' ' ' ASP . 12.7 m0 -118.16 157.03 27.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 108.009 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.67 HG22 HD13 ' A' ' 25' ' ' LEU . 3.4 p -156.04 125.25 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.587 ' O ' HD12 ' A' ' 25' ' ' LEU . 59.9 mt -68.34 116.34 8.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.67 HD13 HG22 ' A' ' 23' ' ' VAL . 2.4 mp -129.77 137.16 50.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 109.365 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.435 ' C ' ' O ' ' A' ' 25' ' ' LEU . 18.1 m80 37.64 36.32 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.587 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 70.0 48.2 0.55 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.598 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.552 ' CG ' ' O ' ' A' ' 25' ' ' LEU . 5.3 ptpp? -170.18 127.17 0.83 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.814 HG23 HD11 ' A' ' 76' ' ' ILE . 15.1 m -67.48 146.71 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.628 ' CD2' HD22 ' A' ' 25' ' ' LEU . 2.0 m-30 -120.26 96.85 5.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.962 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.44 ' HA ' ' CD1' ' A' ' 22' ' ' TRP . 22.5 t0 -64.73 78.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.439 HD23 ' O ' ' A' ' 30' ' ' TYR . 0.5 OUTLIER -102.33 41.68 1.21 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 109.329 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.662 HG21 ' O ' ' A' ' 19' ' ' LYS . 88.7 m -66.06 -46.87 76.24 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.479 1.112 . . . . 0.0 110.366 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.05 -43.05 79.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.565 ' HB2' ' CZ ' ' A' ' 74' ' ' TYR . 93.5 t80 -89.99 24.82 2.3 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 111.034 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.702 HD23 HG21 ' A' ' 21' ' ' THR . 1.3 tm? -76.68 -47.49 21.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -90.12 -11.66 40.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.289 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -82.08 -22.25 36.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.333 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.764 ' CE1' HD21 ' A' ' 46' ' ' LEU . 4.7 t-160 -49.94 126.57 19.65 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 109.601 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.583 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.4 Cg_endo -75.01 -29.58 8.05 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.532 1.806 . . . . 0.0 110.985 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.29 -67.01 2.15 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.545 1.153 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.06 144.18 7.43 Favored Glycine 0 CA--C 1.531 1.057 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.437 ' HA ' HD12 ' A' ' 46' ' ' LEU . 0.3 OUTLIER -84.53 -11.14 56.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.583 0.813 . . . . 0.0 110.294 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.474 ' O ' ' N ' ' A' ' 48' ' ' GLU . 1.0 OUTLIER -92.8 -53.38 4.19 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.488 1.118 . . . . 0.0 110.323 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.403 HG12 ' H ' ' A' ' 45' ' ' VAL . 0.2 OUTLIER -41.02 -27.67 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.764 HD21 ' CE1' ' A' ' 39' ' ' HIS . 0.7 OUTLIER -84.97 -61.01 1.88 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.576 ' HG3' HD21 ' A' ' 36' ' ' LEU . 8.4 mtm180 -58.58 -57.16 14.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.294 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 44' ' ' GLU . 7.1 tt0 -34.02 -44.79 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 110.308 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.435 ' HG3' ' HB2' ' A' ' 54' ' ' ALA . 5.2 pt20 -132.15 51.83 2.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.537 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -73.87 -91.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.349 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -41.47 -31.02 0.59 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.555 1.159 . . . . 0.0 111.035 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.53 -137.55 0.01 OUTLIER Glycine 0 CA--C 1.53 0.969 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -132.98 110.98 10.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 0.737 . . . . 0.0 109.295 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.667 ' HB3' HG21 ' A' ' 23' ' ' VAL . . . -113.97 18.19 17.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.353 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.8 m -49.95 -61.52 2.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 110.425 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -66.63 -41.94 87.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 0.0 110.271 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -64.13 -13.56 48.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.814 ' CD1' ' CE1' ' A' ' 63' ' ' HIS . 72.6 t80 -99.1 -40.45 8.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 110.978 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -80.09 -33.75 38.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.616 1.197 . . . . 0.0 110.34 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -57.44 -43.78 84.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.693 HG22 ' O ' ' A' ' 58' ' ' PHE . 7.8 m -67.4 -15.19 19.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 59.11 84.9 0.04 OUTLIER Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.526 1.141 . . . . 0.0 110.972 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.814 ' CE1' ' CD1' ' A' ' 58' ' ' PHE . 34.4 m80 -71.9 140.16 49.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 0.765 . . . . 0.0 109.601 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 20.5 m -81.23 169.98 16.66 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.427 1.08 . . . . 0.0 109.979 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -50.44 -47.46 56.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 110.407 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -40.58 -40.62 1.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.48 -46.63 59.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.24 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 65' ' ' THR . 80.4 mtt-85 -44.14 -34.29 1.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.59 1.181 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -76.37 -56.24 4.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.335 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.557 ' O ' ' N ' ' A' ' 73' ' ' THR . 0.3 OUTLIER -53.31 -61.48 2.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.594 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 8.0 p -40.3 -57.63 1.7 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.105 . . . . 0.0 109.976 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.817 ' O ' HG22 ' A' ' 75' ' ' ILE . 3.8 tttm -58.74 -28.85 66.26 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.413 1.07 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.557 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -80.03 -30.01 39.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.419 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.565 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 34.8 m-85 -100.18 37.13 1.71 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.091 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.817 HG22 ' O ' ' A' ' 72' ' ' LYS . 9.8 tp -107.46 139.8 28.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.814 HD11 HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -123.63 -33.75 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.434 1.084 . . . . 0.0 109.291 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 173.31 -163.69 35.26 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.432 ' HA ' ' HA ' ' A' ' 28' ' ' LYS . 10.9 pt-20 -124.53 164.91 18.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 0.722 . . . . 0.0 110.303 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.728 ' C ' HD22 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -98.32 147.52 24.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.535 ' O ' HD22 ' A' ' 79' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.597 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.574 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -100.46 122.36 43.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 111.013 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.574 ' CE1' ' HB3' ' A' ' 5' ' ' LYS . 9.6 m-85 -109.74 148.68 30.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 111.048 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.9 p -75.12 155.75 36.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.403 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.488 ' HA ' HD11 ' A' ' 12' ' ' ILE . 1.5 pt? -62.56 -14.43 42.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.155 . . . . 0.0 109.355 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.82 -35.66 77.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.589 1.181 . . . . 0.0 110.303 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -59.32 -71.2 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.338 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.497 ' H ' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -36.49 -47.58 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.349 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.423 ' C ' ' N ' ' A' ' 15' ' ' HIS . 6.4 mm-40 -54.82 -81.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.203 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.412 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 0.2 OUTLIER -45.01 -26.32 0.42 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.579 1.174 . . . . 0.0 109.307 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.423 ' N ' ' C ' ' A' ' 13' ' ' GLN . 85.8 m-70 -95.13 45.49 1.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.08 . . . . 0.0 109.629 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -109.69 26.82 10.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -122.39 169.21 11.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.6 ' O ' HG23 ' A' ' 33' ' ' THR . 0.5 OUTLIER -56.02 -48.67 75.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.586 1.179 . . . . 0.0 110.021 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.565 ' O ' HG21 ' A' ' 33' ' ' THR . 0.6 OUTLIER -40.9 -51.84 3.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.427 1.079 . . . . 0.0 109.305 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.4 m -138.43 94.14 2.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.998 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.678 HG21 HD23 ' A' ' 36' ' ' LEU . 1.7 m -96.69 113.36 24.92 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.142 . . . . 0.0 110.431 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 9.2 m0 -118.38 156.97 28.03 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.66 HG21 ' HB3' ' A' ' 54' ' ' ALA . 3.2 p -158.29 116.59 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.461 HD12 ' O ' ' A' ' 52' ' ' GLY . 5.8 mt -64.07 112.71 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.171 . . . . 0.0 109.244 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.636 HD13 HG22 ' A' ' 23' ' ' VAL . 0.7 OUTLIER -120.31 120.59 36.48 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 39.97 54.4 2.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.581 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.7 m170 56.83 50.43 12.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.611 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.411 ' HG2' HD11 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -170.01 103.13 0.3 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.823 HG23 HD11 ' A' ' 76' ' ' ILE . 7.9 m -60.88 142.42 15.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.593 ' CE2' ' HB3' ' A' ' 71' ' ' SER . 3.6 m-30 -116.97 109.85 17.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.938 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -80.55 81.83 6.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.088 . . . . 0.0 109.32 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -99.42 43.17 1.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.6 HG23 ' O ' ' A' ' 18' ' ' SER . 80.4 m -60.57 -48.22 82.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.427 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.97 -40.12 72.12 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.605 1.191 . . . . 0.0 109.317 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.586 ' CD2' ' O ' ' A' ' 35' ' ' TYR . 80.9 t80 -89.96 25.98 1.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 111.072 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.678 HD23 HG21 ' A' ' 21' ' ' THR . 1.7 tm? -82.0 -49.86 9.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.232 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -90.14 -6.89 54.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.27 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -87.63 -22.95 24.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.254 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.667 ' CE1' HD21 ' A' ' 46' ' ' LEU . 4.8 t-160 -50.05 126.76 20.59 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.564 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.597 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.4 Cg_endo -75.02 -28.74 8.87 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.512 1.796 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.47 -68.75 1.55 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.558 1.161 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.05 150.02 11.33 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.494 ' HA ' HD12 ' A' ' 46' ' ' LEU . 9.0 pt-20 -86.22 -27.08 24.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 0.771 . . . . 0.0 110.296 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.539 ' O ' ' N ' ' A' ' 48' ' ' GLU . 3.1 mt-10 -76.31 -54.73 6.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.425 1.078 . . . . 0.0 110.28 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 44' ' ' GLU . 0.2 OUTLIER -39.88 -28.98 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.667 HD21 ' CE1' ' A' ' 39' ' ' HIS . 1.2 mt -86.01 -57.85 2.87 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.536 1.148 . . . . 0.0 109.327 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.547 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 27.0 mtm180 -61.56 -57.87 10.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.414 1.071 . . . . 0.0 110.308 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.539 ' N ' ' O ' ' A' ' 44' ' ' GLU . 4.8 tt0 -33.52 -44.84 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 110.272 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -131.12 52.1 2.09 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.518 1.136 . . . . 0.0 110.327 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.547 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -74.37 -91.32 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.427 1.08 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.411 ' O ' ' HB ' ' A' ' 12' ' ' ILE . . . -39.77 -32.08 0.3 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.485 1.116 . . . . 0.0 110.974 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.461 ' O ' HD12 ' A' ' 24' ' ' ILE . . . -60.23 -138.8 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -133.87 110.99 10.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.527 0.781 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.66 ' HB3' HG21 ' A' ' 23' ' ' VAL . . . -110.18 28.56 8.5 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.515 1.134 . . . . 0.0 109.242 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.8 m -56.5 -69.64 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 110.355 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -60.65 -37.42 81.46 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.477 1.111 . . . . 0.0 110.333 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.6 ' O ' HG13 ' A' ' 61' ' ' VAL . 5.4 m-80 -62.55 -24.13 67.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.669 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.4 OUTLIER -90.84 -39.96 12.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 110.916 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -76.57 -35.38 58.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.437 1.085 . . . . 0.0 110.313 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -57.89 -43.36 86.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.08 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.669 HG22 ' O ' ' A' ' 58' ' ' PHE . 5.3 m -71.03 -15.38 18.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 58.79 85.1 0.04 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.509 1.131 . . . . 0.0 111.013 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.416 ' CE1' ' CG2' ' A' ' 61' ' ' VAL . 31.1 m80 -70.03 139.84 52.75 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.495 0.762 . . . . 0.0 109.534 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -81.7 170.01 16.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.008 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -50.74 -47.65 59.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.465 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -41.54 -40.1 1.76 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 109.244 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.67 -48.34 69.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.359 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 65' ' ' THR . 11.9 mtt-85 -45.89 -34.45 3.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.274 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -71.43 -56.1 6.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.329 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.476 ' O ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -58.96 -62.41 1.9 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.553 1.158 . . . . 0.0 109.335 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.593 ' HB3' ' CE2' ' A' ' 30' ' ' TYR . 58.8 m -32.86 -58.86 0.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.971 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.597 ' O ' HG22 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -55.85 -51.28 68.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 0.0 109.299 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.463 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -57.7 -32.64 67.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.132 . . . . 0.0 110.468 179.932 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.534 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 51.1 m-85 -99.86 41.81 1.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.977 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.597 HG22 ' O ' ' A' ' 72' ' ' LYS . 5.1 tt -116.7 139.88 41.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.551 1.157 . . . . 0.0 109.333 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.823 HD11 HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -123.03 -38.07 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.46 ' N ' HG12 ' A' ' 76' ' ' ILE . . . 173.78 -164.06 35.41 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.501 1.126 . . . . 0.0 111.042 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -120.49 163.96 17.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 0.78 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 1.092 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -91.79 148.38 22.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.335 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.51 ' N ' HD22 ' A' ' 79' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.57 1.169 . . . . 0.0 109.638 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.575 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.245 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -100.83 114.08 27.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 0.0 111.048 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.575 ' CE1' ' HB3' ' A' ' 5' ' ' LYS . 16.4 m-85 -104.69 151.0 24.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.105 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.9 p -78.43 149.38 33.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 110.381 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -54.43 -16.33 2.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -69.15 -39.1 79.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.166 . . . . 0.0 110.329 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.432 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -52.52 -67.52 0.25 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 110.278 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.458 ' HB ' ' CA ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -43.94 -50.74 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.266 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -48.44 -76.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.432 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -50.93 -30.45 14.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.408 1.068 . . . . 0.0 109.263 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.43 ' N ' ' O ' ' A' ' 11' ' ' GLU . 80.6 m-70 -90.42 44.4 1.2 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.513 1.133 . . . . 0.0 109.594 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.488 ' HG3' ' HB3' ' A' ' 50' ' ' ALA . 25.0 tttt -110.41 31.2 6.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.435 1.085 . . . . 0.0 109.347 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.75 168.72 15.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.108 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.626 ' O ' HG23 ' A' ' 33' ' ' THR . 0.1 OUTLIER -52.72 -51.02 62.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.039 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.535 ' O ' HG21 ' A' ' 33' ' ' THR . 2.4 tttt -40.33 -53.41 2.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.9 m -135.37 96.22 3.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.425 1.078 . . . . 0.0 110.038 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.844 HG21 HD23 ' A' ' 36' ' ' LEU . 1.9 m -99.0 113.37 25.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 110.489 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.442 ' O ' ' C ' ' A' ' 50' ' ' ALA . 10.2 m0 -119.54 159.34 24.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.557 1.16 . . . . 0.0 107.981 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.619 ' CG2' ' HB3' ' A' ' 54' ' ' ALA . 7.2 p -158.21 116.16 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.377 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.471 ' O ' HD12 ' A' ' 25' ' ' LEU . 9.9 mt -65.64 119.59 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.638 HD22 ' CD2' ' A' ' 30' ' ' TYR . 1.5 mp -126.59 117.57 23.07 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 10.3 p-80 39.17 56.48 2.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.58 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 57.34 52.1 9.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.589 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.454 ' HE2' HD11 ' A' ' 75' ' ' ILE . 2.4 mttt -170.08 105.02 0.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.352 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.78 HG23 HD11 ' A' ' 76' ' ' ILE . 5.9 m -67.21 142.01 17.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 0.0 109.261 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.638 ' CD2' HD22 ' A' ' 25' ' ' LEU . 4.6 m-30 -117.31 110.74 18.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 110.992 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.421 ' HB2' HD12 ' A' ' 76' ' ' ILE . 51.7 t0 -81.18 79.73 7.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 36' ' ' LEU . 0.7 OUTLIER -96.8 41.98 1.1 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 109.271 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.626 HG23 ' O ' ' A' ' 18' ' ' SER . 95.5 m -61.41 -46.03 91.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 0.0 110.394 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.13 -39.2 68.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.539 ' HB2' ' CZ ' ' A' ' 74' ' ' TYR . 90.0 t80 -90.12 16.18 8.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.959 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.844 HD23 HG21 ' A' ' 21' ' ' THR . 1.7 tm? -71.23 -49.89 38.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.63 -8.0 53.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.427 1.08 . . . . 0.0 110.293 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -86.03 -22.72 27.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 110.317 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.657 ' CE1' HD21 ' A' ' 46' ' ' LEU . 5.2 t-160 -49.87 125.53 17.88 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.615 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.57 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.5 Cg_endo -74.94 -31.44 6.31 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.43 1.753 . . . . 0.0 111.041 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.76 -67.57 1.99 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.493 1.121 . . . . 0.0 110.97 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.11 149.14 10.49 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.547 ' HA ' HD12 ' A' ' 46' ' ' LEU . 3.7 pt-20 -85.9 -34.78 20.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 0.75 . . . . 0.0 110.371 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.504 ' O ' ' N ' ' A' ' 48' ' ' GLU . 2.8 mm-40 -68.76 -54.04 18.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.407 ' C ' ' O ' ' A' ' 44' ' ' GLU . 0.2 OUTLIER -39.84 -29.68 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.592 1.182 . . . . 0.0 109.248 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.657 HD21 ' CE1' ' A' ' 39' ' ' HIS . 0.9 OUTLIER -85.9 -61.43 1.75 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.515 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -56.67 -56.74 17.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.314 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' A' ' 44' ' ' GLU . 4.2 tp10 -33.79 -45.44 0.19 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.546 1.154 . . . . 0.0 110.317 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.459 ' HG3' ' HB2' ' A' ' 54' ' ' ALA . 2.8 pt20 -133.46 52.33 2.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 110.35 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.515 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -72.83 -89.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.458 ' CA ' ' HB ' ' A' ' 12' ' ' ILE . . . -41.49 -32.85 0.84 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.595 1.184 . . . . 0.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 51' ' ' GLY . . . -59.67 -139.88 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -131.42 110.13 10.81 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.484 0.755 . . . . 0.0 109.317 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.619 ' HB3' ' CG2' ' A' ' 23' ' ' VAL . . . -114.63 29.53 7.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 109.243 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.5 m -58.64 -60.34 3.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.401 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.415 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 2.5 mp0 -64.64 -40.49 95.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.296 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -65.54 -15.46 62.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.322 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.822 ' CD1' ' CE1' ' A' ' 63' ' ' HIS . 73.7 t80 -98.0 -40.75 8.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 111.041 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -79.99 -33.64 39.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 110.252 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.415 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 30.2 t70 -57.32 -45.52 84.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.665 HG22 ' O ' ' A' ' 58' ' ' PHE . 10.9 m -65.75 -18.64 24.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.42 1.075 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 63.12 83.07 0.08 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.822 ' CE1' ' CD1' ' A' ' 58' ' ' PHE . 35.7 m80 -70.74 138.91 50.92 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.44 0.729 . . . . 0.0 109.607 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.2 p -81.07 170.17 16.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.983 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -51.32 -42.81 61.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.118 . . . . 0.0 110.405 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -43.78 -40.64 4.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.357 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.3 -46.09 71.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.335 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -41.24 -48.35 3.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 110.319 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -61.97 -53.02 61.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 0.0 110.261 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.471 ' O ' ' C ' ' A' ' 71' ' ' SER . 2.4 mp -57.56 -67.18 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.596 1.185 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.608 ' HB3' ' CE2' ' A' ' 30' ' ' TYR . 26.1 m -33.12 -55.14 0.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 110.007 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.614 ' O ' HG22 ' A' ' 75' ' ' ILE . 0.1 OUTLIER -58.21 -52.65 64.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.587 1.179 . . . . 0.0 109.278 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.46 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.7 OUTLIER -57.17 -32.09 66.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.471 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.539 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 58.8 m-85 -100.04 42.04 1.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.975 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.614 HG22 ' O ' ' A' ' 72' ' ' LYS . 5.9 tt -116.46 140.26 39.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.425 1.078 . . . . 0.0 109.297 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.78 HD11 HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -123.13 -38.74 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.633 ' O ' HG22 ' A' ' 29' ' ' VAL . . . 172.64 -168.31 41.34 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.491 1.12 . . . . 0.0 110.991 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -114.58 170.11 8.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 0.768 . . . . 0.0 110.25 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.733 ' C ' HD22 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -102.24 147.53 26.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.353 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.532 ' O ' HD22 ' A' ' 79' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.561 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.494 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 9.2 mmmm . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -101.0 105.92 17.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.989 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.494 ' CE1' ' HB3' ' A' ' 5' ' ' LYS . 10.5 m-85 -95.51 147.93 23.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.2 p -77.86 147.99 34.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.344 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.415 ' O ' HG12 ' A' ' 12' ' ' ILE . 0.9 OUTLIER -52.32 -19.83 2.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.54 -34.63 78.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.145 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.484 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -59.74 -72.33 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.248 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.465 ' H ' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -37.05 -41.55 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -59.93 -76.4 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 110.25 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.601 ' HD2' ' CE1' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -51.19 -21.4 2.01 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.601 ' CE1' ' HD2' ' A' ' 14' ' ' LYS . 73.4 m-70 -97.6 44.83 1.04 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.596 1.185 . . . . 0.0 109.652 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.7 tttt -110.04 34.74 3.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.257 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -129.85 168.55 16.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.245 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.621 ' O ' HG23 ' A' ' 33' ' ' THR . 0.1 OUTLIER -55.78 -45.9 78.05 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 0.0 110.05 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.483 ' O ' HG21 ' A' ' 33' ' ' THR . 0.0 OUTLIER -45.13 -51.97 9.75 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 109.367 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 m -137.08 96.08 3.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.992 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.403 HG21 HD23 ' A' ' 36' ' ' LEU . 1.4 m -100.74 112.64 25.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 110.363 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.407 ' CZ3' ' CD2' ' A' ' 7' ' ' TYR . 13.0 m0 -117.62 161.01 20.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 108.017 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.7 ' CG2' ' HB3' ' A' ' 54' ' ' ALA . 7.3 p -158.15 123.71 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.548 1.155 . . . . 0.0 109.324 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.48 HD12 ' O ' ' A' ' 52' ' ' GLY . 9.1 mt -70.2 113.25 5.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.081 . . . . 0.0 109.234 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.587 HD22 ' CD2' ' A' ' 30' ' ' TYR . 1.0 OUTLIER -123.03 115.74 22.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.329 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 41.37 57.44 2.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.604 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 55.36 52.92 10.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.642 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.463 ' HG2' HD11 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -170.09 112.63 0.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.09 . . . . 0.0 109.327 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.75 HG23 HD11 ' A' ' 76' ' ' ILE . 8.0 m -71.41 139.7 19.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.85 ' CE1' HD13 ' A' ' 75' ' ' ILE . 4.3 m-30 -116.18 109.96 18.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 111.01 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -80.08 76.05 6.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.469 ' O ' ' N ' ' A' ' 36' ' ' LEU . 0.9 OUTLIER -90.99 37.87 0.94 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.152 . . . . 0.0 109.295 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.621 HG23 ' O ' ' A' ' 18' ' ' SER . 93.4 m -57.51 -52.65 64.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.525 1.14 . . . . 0.0 110.433 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.36 -36.02 76.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.554 ' HB2' ' CZ ' ' A' ' 74' ' ' TYR . 73.0 t80 -89.99 16.02 9.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.471 ' C ' HD13 ' A' ' 36' ' ' LEU . 2.1 tm? -74.96 -48.01 26.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.408 1.067 . . . . 0.0 109.255 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -90.12 -6.98 54.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 110.298 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.68 -25.86 23.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.623 ' CE1' HD21 ' A' ' 46' ' ' LEU . 5.2 t-160 -50.31 126.47 21.62 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.42 1.075 . . . . 0.0 109.599 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.573 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.3 Cg_endo -74.95 -29.19 8.58 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.527 1.804 . . . . 0.0 110.987 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.0 -68.3 1.71 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.475 1.109 . . . . 0.0 110.989 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.1 151.45 13.02 Favored Glycine 0 CA--C 1.529 0.92 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.43 ' HA ' HD12 ' A' ' 46' ' ' LEU . 3.4 pt-20 -88.41 -18.06 29.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.433 0.725 . . . . 0.0 110.305 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 48' ' ' GLU . 4.5 mm-40 -86.58 -54.38 4.43 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.501 1.125 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' A' ' 44' ' ' GLU . 0.2 OUTLIER -40.01 -29.16 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.623 HD21 ' CE1' ' A' ' 39' ' ' HIS . 1.4 mt -84.68 -63.95 1.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.259 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.619 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -55.1 -55.72 27.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.218 -179.909 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' A' ' 44' ' ' GLU . 4.9 tt0 -35.08 -44.01 0.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.222 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.47 ' HG3' ' HB2' ' A' ' 54' ' ' ALA . 5.3 pt20 -130.35 47.7 2.49 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 110.278 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.619 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -70.27 -93.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 52' ' ' GLY . . . -39.24 -32.06 0.21 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.564 1.165 . . . . 0.0 110.971 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.48 ' O ' HD12 ' A' ' 24' ' ' ILE . . . -59.85 -141.91 0.01 OUTLIER Glycine 0 CA--C 1.529 0.953 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.7 p-10 -129.08 112.45 14.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 0.734 . . . . 0.0 109.285 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.7 ' HB3' ' CG2' ' A' ' 23' ' ' VAL . . . -115.42 32.19 6.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 109.264 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.1 m -62.98 -63.59 1.16 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 110.355 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -63.7 -37.28 86.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.613 ' O ' HG13 ' A' ' 61' ' ' VAL . 2.5 m-80 -65.11 -22.4 66.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.61 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.5 OUTLIER -90.0 -40.0 12.6 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.571 1.169 . . . . 0.0 110.972 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -79.17 -35.46 41.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.13 . . . . 0.0 110.296 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -57.01 -44.88 83.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.613 HG13 ' O ' ' A' ' 57' ' ' ASN . 7.4 m -68.56 -17.95 22.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 61.55 83.83 0.06 OUTLIER Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.48 1.113 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.48 ' CE1' ' CG2' ' A' ' 61' ' ' VAL . 36.0 m80 -70.69 140.07 51.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 0.725 . . . . 0.0 109.564 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.07 169.86 17.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.022 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -51.43 -47.34 63.04 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.547 1.154 . . . . 0.0 110.43 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -41.05 -41.97 1.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.83 -47.3 69.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 65' ' ' THR . 1.0 OUTLIER -39.75 -43.61 1.44 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 110.322 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.79 -58.51 4.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.306 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.507 ' O ' ' N ' ' A' ' 73' ' ' THR . 0.2 OUTLIER -48.96 -63.93 0.95 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.259 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.586 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 2.6 p -39.93 -53.96 2.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.031 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.89 ' O ' HG22 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -61.72 -36.24 80.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.507 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -71.3 -31.09 67.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.441 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.554 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 40.1 m-85 -100.15 38.54 1.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 111.06 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.89 HG22 ' O ' ' A' ' 72' ' ' LYS . 9.8 tp -107.75 139.71 28.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.75 HD11 HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -125.15 -33.77 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.56 ' O ' HG22 ' A' ' 29' ' ' VAL . . . 165.56 -169.28 39.92 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.503 1.127 . . . . 0.0 110.963 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -115.08 168.52 9.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 0.737 . . . . 0.0 110.308 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.78 ' C ' HD22 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -108.61 150.35 27.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.516 ' O ' HD22 ' A' ' 79' ' ' LEU . 4.0 t-160 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.548 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.455 ' HB3' ' CZ ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.254 -0.646 . . . . 0.0 109.254 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -100.23 109.07 21.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.135 . . . . 0.0 111.042 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.455 ' CZ ' ' HB3' ' A' ' 5' ' ' LYS . 29.4 m-85 -99.41 155.77 17.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 111.038 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.402 ' C ' ' N ' ' A' ' 10' ' ' GLU . 1.7 p -84.98 143.83 28.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.473 1.108 . . . . 0.0 110.41 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.412 ' O ' HG12 ' A' ' 12' ' ' ILE . 1.0 OUTLIER -49.14 -21.87 0.84 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.402 ' N ' ' C ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -63.77 -32.24 73.68 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.553 1.158 . . . . 0.0 110.295 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.508 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -61.78 -76.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 110.267 -179.908 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.508 ' C ' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -32.35 -42.51 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 0.0 109.289 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 11' ' ' GLU . 11.1 mm-40 -57.01 -74.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.282 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -51.61 -27.56 11.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.367 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.421 ' NE2' ' HG3' ' A' ' 11' ' ' GLU . 74.8 m-70 -93.26 46.78 1.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.63 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -110.0 28.59 8.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 109.284 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -126.1 169.76 12.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 0.0 109.336 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.576 ' O ' HG23 ' A' ' 33' ' ' THR . 3.5 m -54.7 -48.72 72.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.017 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.681 ' O ' HG21 ' A' ' 33' ' ' THR . 1.0 OUTLIER -42.16 -57.62 2.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.409 ' O ' ' O ' ' A' ' 15' ' ' HIS . 57.8 m -129.89 90.87 3.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.027 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.753 HG21 HD23 ' A' ' 36' ' ' LEU . 1.4 m -96.35 110.51 22.83 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.532 1.145 . . . . 0.0 110.422 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 15.6 m0 -117.78 160.05 22.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.137 . . . . 0.0 107.947 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.662 ' CG2' ' HB3' ' A' ' 54' ' ' ALA . 9.5 p -155.54 124.73 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.537 ' O ' HD12 ' A' ' 25' ' ' LEU . 20.6 mt -70.88 114.68 9.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.563 1.164 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.626 HD22 ' CD2' ' A' ' 30' ' ' TYR . 2.2 mp -126.75 133.76 50.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.429 ' C ' ' O ' ' A' ' 25' ' ' LEU . 45.2 m-70 37.72 38.25 0.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.58 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 38.9 m-70 70.13 51.51 0.4 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.62 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.555 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -170.12 132.09 1.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 109.307 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.777 HG23 HD11 ' A' ' 76' ' ' ILE . 16.4 m -76.35 142.88 13.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.626 ' CD2' HD22 ' A' ' 25' ' ' LEU . 2.4 m-30 -118.39 105.68 11.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 111.05 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -75.6 82.39 2.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 36' ' ' LEU . 0.9 OUTLIER -102.04 35.39 2.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.681 HG21 ' O ' ' A' ' 19' ' ' LYS . 6.7 m -58.1 -44.23 87.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 110.325 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.1 ttmm -72.07 -41.15 67.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.52 ' HB2' ' CZ ' ' A' ' 74' ' ' TYR . 90.9 t80 -89.6 16.9 7.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 111.093 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.753 HD23 HG21 ' A' ' 21' ' ' THR . 2.1 tm? -72.45 -48.04 44.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -89.77 -8.11 52.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.573 1.171 . . . . 0.0 110.277 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.34 -22.99 24.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.426 1.079 . . . . 0.0 110.315 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.715 ' CE1' HD21 ' A' ' 46' ' ' LEU . 5.2 t-160 -49.93 126.22 19.11 Favored Pre-proline 0 C--N 1.326 -0.421 0 O-C-N 124.478 1.111 . . . . 0.0 109.589 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.584 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.0 Cg_endo -75.09 -29.75 7.76 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.493 1.786 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.15 -67.85 1.88 Allowed Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.566 1.166 . . . . 0.0 111.028 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.0 148.36 9.97 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.461 ' HA ' HD12 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -86.91 -17.6 32.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 0.772 . . . . 0.0 110.268 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 48' ' ' GLU . 0.3 OUTLIER -86.69 -54.41 4.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.426 1.079 . . . . 0.0 110.255 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.418 ' H ' HG12 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -39.93 -29.17 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 109.254 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.715 HD21 ' CE1' ' A' ' 39' ' ' HIS . 1.2 mt -83.68 -60.64 2.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.573 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 22.3 mtm180 -58.32 -57.27 13.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.439 1.087 . . . . 0.0 110.309 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 44' ' ' GLU . 4.9 tt0 -33.65 -44.99 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.333 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.448 ' HG3' ' HB2' ' A' ' 54' ' ' ALA . 4.9 pt20 -131.21 50.72 2.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.312 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.573 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -73.01 -88.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -43.83 -31.16 1.81 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.542 1.151 . . . . 0.0 111.006 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.471 ' O ' HD12 ' A' ' 24' ' ' ILE . . . -60.37 -137.95 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -132.73 110.02 10.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 0.778 . . . . 0.0 109.235 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.662 ' HB3' ' CG2' ' A' ' 23' ' ' VAL . . . -111.59 17.83 19.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.321 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.6 m -50.21 -60.8 2.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.375 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -66.27 -41.49 89.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.308 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.412 ' O ' HG13 ' A' ' 61' ' ' VAL . 2.0 m120 -65.42 -13.49 58.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.804 ' CD1' ' CE1' ' A' ' 63' ' ' HIS . 75.4 t80 -99.56 -40.01 8.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 111.044 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -81.49 -30.77 33.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.417 ' N ' ' HG3' ' A' ' 59' ' ' GLU . 30.3 t0 -61.09 -43.49 98.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.62 HG22 ' O ' ' A' ' 58' ' ' PHE . 7.1 m -67.81 -15.93 20.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 60.0 84.5 0.05 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.426 1.079 . . . . 0.0 111.034 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.804 ' CE1' ' CD1' ' A' ' 58' ' ' PHE . 35.7 m80 -71.58 140.07 49.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 0.775 . . . . 0.0 109.581 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 13.1 m -80.69 169.94 16.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.933 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -50.98 -47.25 61.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.403 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.34 -39.82 1.53 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.333 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.69 -47.28 66.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.611 1.194 . . . . 0.0 109.327 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 65' ' ' THR . 0.3 OUTLIER -42.29 -45.39 4.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.81 -51.49 61.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.477 ' O ' ' C ' ' A' ' 71' ' ' SER . 1.2 mp -58.77 -67.91 0.32 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.336 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.588 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 4.0 p -32.01 -57.8 0.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.974 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.812 ' O ' HG22 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -55.99 -52.99 62.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.329 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.47 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -57.62 -30.85 65.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 110.369 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.52 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 46.7 m-85 -99.95 39.9 1.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.986 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.812 HG22 ' O ' ' A' ' 72' ' ' LYS . 8.6 tt -117.06 140.65 38.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.777 HD11 HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -122.51 -38.55 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.556 1.16 . . . . 0.0 109.335 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.588 ' O ' HG22 ' A' ' 29' ' ' VAL . . . 174.36 -172.88 45.73 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.444 1.09 . . . . 0.0 111.001 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.417 ' HA ' ' HA ' ' A' ' 28' ' ' LYS . 0.7 OUTLIER -114.04 169.68 8.83 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.513 0.772 . . . . 0.0 110.369 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.666 ' C ' HD22 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -103.78 153.25 20.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.612 ' O ' HD22 ' A' ' 79' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 109.577 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.592 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -100.96 102.1 13.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 111.005 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.592 ' CE1' ' HB3' ' A' ' 5' ' ' LYS . 17.5 m-85 -91.58 147.19 23.19 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 111.039 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.425 ' C ' ' N ' ' A' ' 10' ' ' GLU . 2.2 p -75.46 149.13 38.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 0.0 110.408 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.543 ' HA ' HD11 ' A' ' 12' ' ' ILE . 0.5 OUTLIER -54.07 -16.18 1.84 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.463 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -71.15 -42.56 69.0 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.483 1.115 . . . . 0.0 110.313 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.543 ' O ' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -48.21 -69.26 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 110.352 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.543 HD11 ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -34.98 -54.77 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.434 ' HB2' ' O ' ' A' ' 10' ' ' GLU . 26.3 mm-40 -49.11 -46.78 45.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 110.349 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.543 ' N ' ' O ' ' A' ' 11' ' ' GLU . 37.7 mmtt -60.62 -31.53 70.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.403 ' NE2' ' CG ' ' A' ' 11' ' ' GLU . 2.6 m-70 -94.36 59.61 2.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.099 . . . . 0.0 109.577 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -110.07 24.87 12.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.522 1.139 . . . . 0.0 109.35 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -135.09 168.27 19.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.777 ' O ' HG23 ' A' ' 33' ' ' THR . 2.9 t -56.94 -48.19 78.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.573 1.171 . . . . 0.0 110.004 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.556 ' O ' HG21 ' A' ' 33' ' ' THR . 0.3 OUTLIER -44.32 -44.68 8.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.8 p -139.08 98.76 3.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 110.052 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.64 HG21 HD23 ' A' ' 36' ' ' LEU . 2.4 m -109.7 112.69 24.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 110.381 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.418 ' O ' ' C ' ' A' ' 50' ' ' ALA . 9.1 m0 -119.33 157.68 27.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 0.0 108.0 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.525 ' CG2' ' HB3' ' A' ' 54' ' ' ALA . 13.7 p -154.53 120.75 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.367 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.477 HG13 HG21 ' A' ' 12' ' ' ILE . 23.4 mt -69.53 106.23 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.591 HD23 ' CE2' ' A' ' 30' ' ' TYR . 0.5 OUTLIER -115.88 120.59 39.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.571 ' O ' ' CG ' ' A' ' 27' ' ' HIS . 0.0 OUTLIER 40.1 60.62 1.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.611 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.571 ' CG ' ' O ' ' A' ' 26' ' ' HIS . 12.8 p80 50.65 48.41 22.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.585 1.178 . . . . 0.0 109.653 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' A' ' 27' ' ' HIS . 0.9 OUTLIER -166.01 107.74 0.74 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.421 1.076 . . . . 0.0 109.279 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.762 HG23 HD11 ' A' ' 76' ' ' ILE . 4.8 m -64.85 143.0 16.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.591 ' CE2' HD23 ' A' ' 25' ' ' LEU . 3.2 m-30 -117.72 110.93 18.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.408 ' HA ' ' CD1' ' A' ' 22' ' ' TRP . 17.6 t0 -77.73 78.58 4.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 109.244 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -98.24 46.59 1.0 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.777 HG23 ' O ' ' A' ' 18' ' ' SER . 97.6 m -67.93 -49.9 59.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.568 1.167 . . . . 0.0 110.392 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.56 -35.74 73.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.565 ' HB2' ' CZ ' ' A' ' 74' ' ' TYR . 80.7 t80 -89.96 18.54 5.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 111.039 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.652 ' C ' HD13 ' A' ' 36' ' ' LEU . 1.7 tm? -77.2 -46.7 22.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -89.94 -7.44 54.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.26 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -88.56 -25.48 22.48 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.689 ' CE1' HD21 ' A' ' 46' ' ' LEU . 5.1 t-160 -50.07 123.04 15.35 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.575 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.432 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.5 Cg_endo -74.99 -31.72 5.99 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.533 1.807 . . . . 0.0 111.007 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.17 -64.52 3.84 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.466 1.104 . . . . 0.0 111.015 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.06 149.1 10.47 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.433 ' HA ' HD12 ' A' ' 46' ' ' LEU . 3.0 pt-20 -91.14 -19.24 23.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.415 0.715 . . . . 0.0 110.262 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 48' ' ' GLU . 2.2 tt0 -86.15 -53.88 4.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.445 ' H ' HG12 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -39.87 -29.32 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.689 HD21 ' CE1' ' A' ' 39' ' ' HIS . 1.6 mt -82.55 -58.05 3.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 109.264 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.611 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 5.9 mtt180 -60.63 -55.56 31.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.299 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 44' ' ' GLU . 13.2 tt0 -33.8 -46.07 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.252 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -131.31 47.75 2.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.334 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.611 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -67.99 -91.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.434 ' CA ' ' HB ' ' A' ' 12' ' ' ILE . . . -41.17 -31.18 0.5 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.398 1.061 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 51' ' ' GLY . . . -60.13 -137.48 0.01 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.598 0.822 . . . . 0.0 111.049 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.9 p-10 -135.76 113.25 10.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 0.76 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.525 ' HB3' ' CG2' ' A' ' 23' ' ' VAL . . . -112.75 26.23 10.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.42 1.075 . . . . 0.0 109.351 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.443 ' O ' ' HB3' ' A' ' 58' ' ' PHE . 16.9 m -50.15 -71.54 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 110.389 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.458 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 1.6 mm-40 -58.72 -43.58 90.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.27 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.612 ' O ' HG13 ' A' ' 61' ' ' VAL . 2.1 m120 -55.92 -22.53 26.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.665 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.2 OUTLIER -93.45 -39.74 10.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -76.05 -35.2 59.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.364 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.458 ' HB2' ' O ' ' A' ' 56' ' ' GLU . 7.6 t0 -59.55 -44.17 93.33 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.471 1.107 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.665 HG22 ' O ' ' A' ' 58' ' ' PHE . 5.2 m -69.52 -16.0 20.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.474 1.109 . . . . 0.0 109.214 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 56.49 85.71 0.03 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.458 1.099 . . . . 0.0 111.02 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.49 ' CE1' ' CG2' ' A' ' 61' ' ' VAL . 32.2 m80 -69.92 139.68 52.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 0.783 . . . . 0.0 109.585 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 p -80.19 170.02 17.0 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.531 1.144 . . . . 0.0 109.962 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -52.16 -44.81 64.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.4 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.93 -41.21 3.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.621 1.2 . . . . 0.0 109.334 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.42 -44.36 78.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 65' ' ' THR . 0.0 OUTLIER -42.81 -42.95 3.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.272 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -68.22 -55.02 13.74 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.445 1.091 . . . . 0.0 110.314 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.462 ' O ' ' C ' ' A' ' 71' ' ' SER . 0.9 OUTLIER -54.24 -66.09 0.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.585 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 6.7 p -33.91 -56.34 0.47 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.1 . . . . 0.0 109.955 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.507 ' O ' HG22 ' A' ' 75' ' ' ILE . 2.2 mtmm -57.31 -51.51 69.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.234 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.7 OUTLIER -58.02 -32.02 67.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.424 1.078 . . . . 0.0 110.388 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.565 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 48.6 m-85 -100.12 41.02 1.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.507 HG22 ' O ' ' A' ' 72' ' ' LYS . 4.4 tt -116.13 140.08 39.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.762 HD11 HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -123.94 -38.24 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.276 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.536 ' O ' HG22 ' A' ' 29' ' ' VAL . . . 171.35 -169.4 42.46 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.53 1.144 . . . . 0.0 111.029 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -114.86 170.13 8.56 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.48 0.753 . . . . 0.0 110.343 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.737 ' C ' HD22 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -102.79 149.34 24.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.338 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.619 ' O ' HD22 ' A' ' 79' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.551 1.157 . . . . 0.0 109.561 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.245 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -101.17 113.68 26.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 110.959 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.519 ' CZ ' ' HB3' ' A' ' 5' ' ' LYS . 20.6 m-85 -104.72 149.7 25.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 111.043 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.2 p -77.27 151.33 35.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 110.424 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.485 ' HA ' HD11 ' A' ' 12' ' ' ILE . 0.7 OUTLIER -57.34 -16.0 7.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.449 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -70.47 -42.84 70.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.483 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.1 OUTLIER -49.62 -70.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.485 HD11 ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -33.13 -57.86 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.579 1.174 . . . . 0.0 109.26 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.419 ' HB2' ' O ' ' A' ' 10' ' ' GLU . 2.9 mm-40 -44.1 -52.47 7.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 11' ' ' GLU . 59.8 mmtt -56.39 -43.35 79.2 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.218 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.474 ' NE2' ' CG ' ' A' ' 11' ' ' GLU . 2.4 m-70 -78.57 56.55 1.83 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.553 1.158 . . . . 0.0 109.61 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -109.99 23.93 13.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -136.66 170.05 16.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.657 ' O ' HG23 ' A' ' 33' ' ' THR . 45.1 m -56.89 -48.64 77.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.003 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.561 ' O ' HG21 ' A' ' 33' ' ' THR . 3.8 mttt -41.68 -47.78 4.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.436 ' O ' ' CA ' ' A' ' 15' ' ' HIS . 23.8 m -139.97 100.77 4.01 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.47 1.106 . . . . 0.0 109.972 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.697 HG21 HD23 ' A' ' 36' ' ' LEU . 1.6 m -109.36 112.38 24.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.427 1.079 . . . . 0.0 110.423 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.433 ' O ' ' C ' ' A' ' 50' ' ' ALA . 12.6 m0 -117.81 159.6 22.77 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.507 HG22 HD13 ' A' ' 25' ' ' LEU . 5.4 p -160.07 120.13 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 109.212 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.634 ' O ' HD12 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -63.99 123.23 16.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.547 1.154 . . . . 0.0 109.33 179.937 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.634 HD12 ' O ' ' A' ' 24' ' ' ILE . 1.8 mp -135.06 114.65 12.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.386 1.054 . . . . 0.0 109.338 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.529 ' CE1' ' CE1' ' A' ' 58' ' ' PHE . 0.1 OUTLIER 42.81 51.9 5.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.614 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 59.2 m80 56.51 53.23 8.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.564 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.546 ' HE3' HD11 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -170.09 97.7 0.28 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.796 HG23 HD11 ' A' ' 76' ' ' ILE . 6.9 m -57.17 140.96 14.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 109.243 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.611 ' CD2' HD22 ' A' ' 25' ' ' LEU . 4.5 m-30 -116.48 106.47 13.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.117 . . . . 0.0 111.042 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -77.31 76.0 3.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 109.322 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' ' 36' ' ' LEU . 0.8 OUTLIER -91.34 41.64 1.07 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.153 . . . . 0.0 109.33 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.657 HG23 ' O ' ' A' ' 18' ' ' SER . 10.4 m -61.54 -49.57 76.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.404 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.6 ttmm -69.16 -39.44 78.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 0.0 109.302 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.54 ' HB2' ' CZ ' ' A' ' 74' ' ' TYR . 90.0 t80 -90.13 17.09 7.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 110.974 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.697 HD23 HG21 ' A' ' 21' ' ' THR . 1.7 tm? -71.34 -49.91 37.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -89.19 -9.01 52.47 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.505 1.128 . . . . 0.0 110.28 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.26 -23.83 30.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.331 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.722 ' CE1' HD21 ' A' ' 46' ' ' LEU . 4.7 t-160 -50.0 126.58 19.98 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.52 1.137 . . . . 0.0 109.661 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.582 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.2 Cg_endo -74.99 -29.91 7.74 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.503 1.791 . . . . 0.0 111.034 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.62 -68.24 1.73 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.51 1.131 . . . . 0.0 111.015 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.06 150.21 11.5 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.507 ' HA ' HD12 ' A' ' 46' ' ' LEU . 1.6 pt-20 -86.86 -23.42 25.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 0.776 . . . . 0.0 110.275 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 48' ' ' GLU . 1.3 tp10 -80.37 -54.36 5.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.294 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' A' ' 44' ' ' GLU . 0.2 OUTLIER -39.9 -29.57 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.157 . . . . 0.0 109.319 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.722 HD21 ' CE1' ' A' ' 39' ' ' HIS . 1.1 mt -84.04 -60.19 2.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.61 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 56.7 mtm180 -57.17 -57.16 13.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 110.257 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 44' ' ' GLU . 0.4 OUTLIER -33.91 -44.9 0.18 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.562 1.164 . . . . 0.0 110.314 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.627 ' HG3' ' HB2' ' A' ' 54' ' ' ALA . 0.5 OUTLIER -128.7 49.04 2.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.303 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.61 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -71.72 -94.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.454 ' O ' ' O ' ' A' ' 52' ' ' GLY . . . -34.85 -36.56 0.08 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.522 1.139 . . . . 0.0 111.055 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.454 ' O ' ' O ' ' A' ' 51' ' ' GLY . . . -58.3 -140.98 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.511 ' HA ' HG22 ' A' ' 24' ' ' ILE . 26.1 p-10 -138.1 113.33 9.34 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.478 0.752 . . . . 0.0 109.237 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.627 ' HB2' ' HG3' ' A' ' 49' ' ' GLN . . . -110.72 27.18 9.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.5 m -51.72 -61.49 2.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 110.377 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -63.36 -44.08 95.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 110.281 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.61 ' O ' HG13 ' A' ' 61' ' ' VAL . 2.4 m-80 -60.02 -21.05 60.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.65 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.3 OUTLIER -90.77 -39.94 12.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 111.055 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -77.28 -36.63 54.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.223 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -56.7 -44.57 81.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.65 HG22 ' O ' ' A' ' 58' ' ' PHE . 5.9 m -69.2 -16.11 20.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 58.4 85.13 0.04 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.567 1.167 . . . . 0.0 111.0 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.475 ' CE1' ' CG2' ' A' ' 61' ' ' VAL . 30.0 m80 -69.99 139.45 52.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 0.779 . . . . 0.0 109.623 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -80.82 169.93 16.94 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.426 1.079 . . . . 0.0 109.981 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -50.77 -47.49 59.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.329 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 65' ' ' THR . 0.2 OUTLIER -40.54 -42.14 1.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.35 -47.81 72.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.352 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 65' ' ' THR . 18.3 ttt180 -40.45 -47.44 2.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -63.7 -53.44 51.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.379 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.49 ' O ' ' C ' ' A' ' 71' ' ' SER . 2.3 mp -55.89 -67.61 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.603 ' HB3' ' CE2' ' A' ' 30' ' ' TYR . 46.8 m -31.59 -58.69 0.26 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 110.011 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.631 ' O ' HG22 ' A' ' 75' ' ' ILE . 0.1 OUTLIER -54.94 -53.69 52.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.582 1.176 . . . . 0.0 109.252 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.467 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.7 OUTLIER -56.62 -32.27 65.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.6 1.188 . . . . 0.0 110.386 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.54 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 56.1 m-85 -99.81 42.04 1.13 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.631 HG22 ' O ' ' A' ' 72' ' ' LYS . 6.2 tt -117.85 140.51 40.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.363 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.796 HD11 HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -124.11 -39.12 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.899 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.666 ' O ' HG22 ' A' ' 29' ' ' VAL . . . 174.03 -171.37 44.47 Favored Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.475 1.11 . . . . 0.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -112.04 170.04 8.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 0.787 . . . . 0.0 110.314 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 1.048 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -107.11 152.9 23.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.27 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.752 ' N ' HD22 ' A' ' 79' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.542 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.56 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -99.86 105.97 17.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.56 ' CE1' ' HB3' ' A' ' 5' ' ' LYS . 17.8 m-85 -94.44 150.2 20.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.123 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.8 p -77.42 148.63 35.37 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.132 . . . . 0.0 110.386 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.404 ' O ' HG12 ' A' ' 12' ' ' ILE . 0.4 OUTLIER -54.16 -18.92 4.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 109.362 179.91 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.415 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 1.0 OUTLIER -71.89 -39.14 69.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.337 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.492 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -48.73 -71.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.573 1.171 . . . . 0.0 110.252 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.492 ' C ' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -33.41 -57.86 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.357 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -43.15 -52.91 5.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 110.333 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 11' ' ' GLU . 25.3 mmtt -52.97 -36.42 60.14 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.446 ' N ' ' O ' ' A' ' 12' ' ' ILE . 3.2 m-70 -91.77 59.45 3.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.632 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -109.27 14.88 23.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.34 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -122.2 169.9 10.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.698 ' O ' HG23 ' A' ' 33' ' ' THR . 0.3 OUTLIER -60.12 -44.12 95.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.988 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.706 ' O ' HG21 ' A' ' 33' ' ' THR . 0.0 OUTLIER -49.42 -42.43 42.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.426 1.079 . . . . 0.0 109.305 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 15' ' ' HIS . 27.6 m -137.74 97.03 3.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 110.074 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.74 HG21 HD23 ' A' ' 36' ' ' LEU . 1.5 m -109.12 114.14 27.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.389 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.457 ' CD1' ' HA ' ' A' ' 31' ' ' ASP . 8.4 m0 -119.19 160.82 21.43 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.604 1.19 . . . . 0.0 107.969 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.69 ' CG2' ' HB3' ' A' ' 54' ' ' ALA . 7.2 p -159.93 117.91 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.239 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.543 ' O ' HD12 ' A' ' 25' ' ' LEU . 15.6 mt -67.09 120.61 14.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.63 HD22 ' CD2' ' A' ' 30' ' ' TYR . 1.4 mp -128.82 123.3 32.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.571 ' CE1' ' HB3' ' A' ' 25' ' ' LEU . 0.1 OUTLIER 37.98 54.34 1.62 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.599 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 78.2 m-70 57.6 51.25 9.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.62 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.414 ' HG2' HD11 ' A' ' 75' ' ' ILE . 0.2 OUTLIER -169.97 110.2 0.41 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.86 HG23 HD11 ' A' ' 76' ' ' ILE . 9.1 m -68.06 142.14 16.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.369 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.63 ' CD2' HD22 ' A' ' 25' ' ' LEU . 4.7 m-30 -116.72 104.62 11.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 110.965 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.498 ' CG ' ' CG2' ' A' ' 76' ' ' ILE . 18.1 p-10 -72.92 76.38 1.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.507 HD11 HD13 ' A' ' 46' ' ' LEU . 0.5 OUTLIER -94.74 43.17 1.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.346 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.706 HG21 ' O ' ' A' ' 19' ' ' LYS . 77.5 m -65.93 -46.36 78.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.485 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -69.33 -42.44 75.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 109.256 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.543 ' HB2' ' CZ ' ' A' ' 74' ' ' TYR . 93.4 t80 -89.92 23.08 2.89 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.464 1.103 . . . . 0.0 111.077 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.74 HD23 HG21 ' A' ' 21' ' ' THR . 1.1 tm? -74.69 -47.95 28.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.418 ' N ' HD13 ' A' ' 36' ' ' LEU . 6.0 mt-10 -90.07 -9.44 48.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 0.0 110.348 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.455 ' HB3' ' CD1' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -84.18 -23.29 30.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.319 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.707 ' CE1' HD21 ' A' ' 46' ' ' LEU . 5.3 t-160 -50.33 125.94 20.8 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.632 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.579 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.2 Cg_endo -75.07 -29.35 8.21 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.489 1.784 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.9 -67.01 2.16 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.483 1.114 . . . . 0.0 110.994 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.1 149.47 10.8 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.465 ' HA ' HD12 ' A' ' 46' ' ' LEU . 2.3 pt-20 -87.97 -19.74 26.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 0.0 110.297 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.526 ' O ' ' N ' ' A' ' 48' ' ' GLU . 3.1 mm-40 -84.13 -54.01 5.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 110.271 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 44' ' ' GLU . 0.2 OUTLIER -40.19 -28.48 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.707 HD21 ' CE1' ' A' ' 39' ' ' HIS . 0.8 OUTLIER -85.74 -60.14 2.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.6 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -59.41 -57.04 14.74 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.506 1.129 . . . . 0.0 110.27 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.526 ' N ' ' O ' ' A' ' 44' ' ' GLU . 3.6 tt0 -33.91 -45.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.36 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -131.47 48.22 2.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.432 1.082 . . . . 0.0 110.241 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.6 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -69.41 -94.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.232 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.458 ' CA ' ' HB ' ' A' ' 12' ' ' ILE . . . -36.67 -32.64 0.06 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.537 1.148 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 50' ' ' ALA . . . -60.09 -140.49 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -131.28 114.7 15.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 0.744 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.69 ' HB3' ' CG2' ' A' ' 23' ' ' VAL . . . -115.48 22.55 13.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.38 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.8 m -52.37 -61.37 2.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.418 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -64.75 -41.03 96.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.098 . . . . 0.0 110.278 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.546 ' O ' HG13 ' A' ' 61' ' ' VAL . 2.0 m120 -63.52 -16.96 62.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.624 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.3 OUTLIER -95.5 -40.16 9.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -78.73 -35.44 44.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.254 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -58.54 -43.5 89.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.624 HG22 ' O ' ' A' ' 58' ' ' PHE . 5.9 m -69.54 -17.1 21.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 59.28 85.22 0.04 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.578 1.174 . . . . 0.0 111.04 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.472 ' CE1' ' CG2' ' A' ' 61' ' ' VAL . 31.6 m80 -70.46 139.98 51.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 0.775 . . . . 0.0 109.575 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.29 169.99 17.01 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.528 1.143 . . . . 0.0 110.029 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.423 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -51.88 -46.11 64.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 110.373 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -42.05 -39.6 1.99 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 109.257 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.86 -47.42 65.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 65' ' ' THR . 2.1 tpp180 -40.31 -41.88 1.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 110.273 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -69.84 -56.74 6.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.319 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.462 ' O ' ' C ' ' A' ' 71' ' ' SER . 1.1 mp -52.43 -65.56 0.54 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.122 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.605 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 8.5 p -34.15 -56.91 0.49 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 109.945 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.56 ' O ' HG22 ' A' ' 75' ' ' ILE . 1.9 ttmt -56.33 -51.44 68.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.362 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -58.67 -31.98 68.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.379 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.543 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 47.9 m-85 -100.17 42.36 1.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 111.015 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.56 HG22 ' O ' ' A' ' 72' ' ' LYS . 5.0 tt -116.44 139.93 40.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.86 HD11 HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -122.61 -36.38 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.508 1.13 . . . . 0.0 109.34 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.407 ' N ' HG12 ' A' ' 76' ' ' ILE . . . 172.08 -166.05 38.83 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.395 1.059 . . . . 0.0 110.986 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 5' ' ' LYS . 3.0 pt-20 -119.15 168.38 10.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 0.76 . . . . 0.0 110.322 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.62 ' C ' HD22 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -101.58 154.15 19.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.345 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.47 ' O ' HD22 ' A' ' 79' ' ' LEU . 3.6 t-160 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.563 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -99.47 109.06 21.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 111.034 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -94.27 151.36 19.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.545 1.153 . . . . 0.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.7 p -80.68 145.88 31.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -52.31 -21.01 3.08 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.421 1.076 . . . . 0.0 109.333 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.46 -33.88 76.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 110.333 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.501 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -59.89 -77.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 110.304 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.501 ' C ' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -32.91 -42.34 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 109.279 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.421 ' O ' ' HB2' ' A' ' 16' ' ' LYS . 2.9 mm100 -56.69 -60.2 3.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.3 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 11' ' ' GLU . 1.1 ptpm? -66.27 -10.85 46.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 75.3 m-70 -104.24 47.87 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.611 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.475 ' HG2' ' HB3' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -110.12 16.98 21.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.76 168.82 9.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.276 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.65 ' O ' HG23 ' A' ' 33' ' ' THR . 0.1 OUTLIER -61.09 -44.67 97.01 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.52 1.137 . . . . 0.0 109.985 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.601 ' O ' HG21 ' A' ' 33' ' ' THR . 12.6 mttt -43.25 -49.54 6.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.0 m -139.71 96.57 3.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.998 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.732 HG21 HD23 ' A' ' 36' ' ' LEU . 1.8 m -99.8 112.64 24.88 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.597 1.186 . . . . 0.0 110.374 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.4 ' O ' ' C ' ' A' ' 50' ' ' ALA . 13.8 m0 -117.34 157.99 25.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 107.981 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.602 ' CG2' ' HB3' ' A' ' 54' ' ' ALA . 7.2 p -156.78 123.14 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 24.1 mt -69.27 112.34 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.579 HD23 ' CE2' ' A' ' 30' ' ' TYR . 1.0 OUTLIER -123.6 133.21 53.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.516 ' CE1' ' HB3' ' A' ' 25' ' ' LEU . 0.0 OUTLIER 36.46 40.6 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.609 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.419 ' HB2' ' O ' ' A' ' 26' ' ' HIS . 32.9 m-70 68.36 51.59 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.654 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 25' ' ' LEU . 4.2 ptmt -170.19 126.48 0.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.828 HG23 HD11 ' A' ' 76' ' ' ILE . 16.8 m -73.39 141.96 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.365 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.609 ' CE2' ' HB3' ' A' ' 71' ' ' SER . 3.1 m-30 -117.73 104.89 11.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 0.0 111.022 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -74.16 77.14 1.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.236 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.483 HD12 ' HA ' ' A' ' 36' ' ' LEU . 0.8 OUTLIER -94.6 37.74 1.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.273 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.65 HG23 ' O ' ' A' ' 18' ' ' SER . 59.3 m -58.99 -53.21 61.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 110.434 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.06 -38.42 85.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.563 ' HB2' ' CZ ' ' A' ' 74' ' ' TYR . 74.0 t80 -89.98 17.09 7.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.113 . . . . 0.0 111.014 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.732 HD23 HG21 ' A' ' 21' ' ' THR . 2.2 tm? -72.53 -46.72 53.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.257 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.71 -9.83 47.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.26 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -84.15 -21.34 31.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 0.0 110.272 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.863 ' CE1' HD21 ' A' ' 46' ' ' LEU . 5.3 t-160 -49.97 124.76 17.25 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.397 1.061 . . . . 0.0 109.58 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.552 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.2 Cg_endo -75.04 -30.61 6.92 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.544 1.813 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.63 -65.99 2.58 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.578 1.174 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -173.98 147.81 9.6 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.423 ' HA ' HD12 ' A' ' 46' ' ' LEU . 22.0 pt-20 -86.5 -11.35 51.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 0.775 . . . . 0.0 110.308 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.483 ' O ' ' N ' ' A' ' 48' ' ' GLU . 14.1 tt0 -93.4 -53.06 4.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.593 1.183 . . . . 0.0 110.332 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 44' ' ' GLU . 0.2 OUTLIER -39.99 -28.99 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.863 HD21 ' CE1' ' A' ' 39' ' ' HIS . 0.6 OUTLIER -82.94 -61.48 1.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.626 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 30.5 mtm180 -56.49 -54.82 41.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.299 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 44' ' ' GLU . 18.9 tp10 -34.5 -45.23 0.23 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.093 . . . . 0.0 110.351 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -131.76 46.93 2.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 110.342 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.626 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -67.07 -91.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.485 1.115 . . . . 0.0 109.346 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 52' ' ' GLY . . . -41.95 -32.22 0.95 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 51' ' ' GLY . . . -59.6 -142.39 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -128.68 111.24 12.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 0.768 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.602 ' HB3' ' CG2' ' A' ' 23' ' ' VAL . . . -112.84 25.7 11.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.0 m -52.69 -68.86 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.381 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -61.35 -38.95 88.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.519 ' O ' HG13 ' A' ' 61' ' ' VAL . 2.2 m120 -62.48 -19.33 63.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.654 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.8 OUTLIER -96.12 -39.97 9.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 111.065 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -78.15 -34.56 49.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.538 1.149 . . . . 0.0 110.278 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -59.11 -43.29 91.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.654 HG22 ' O ' ' A' ' 58' ' ' PHE . 6.0 m -69.73 -16.15 20.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 58.01 85.28 0.03 OUTLIER Glycine 0 CA--C 1.532 1.113 0 O-C-N 124.454 1.097 . . . . 0.0 110.933 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.488 ' CE1' ' CG2' ' A' ' 61' ' ' VAL . 31.4 m80 -69.97 139.99 52.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 0.785 . . . . 0.0 109.6 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.5 m -80.08 170.07 16.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.031 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -51.86 -45.67 64.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.406 -179.938 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -41.88 -41.23 2.36 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.478 1.111 . . . . 0.0 109.339 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.69 -45.73 74.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 65' ' ' THR . 0.0 OUTLIER -40.96 -45.8 2.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.326 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -65.61 -55.27 18.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 110.35 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.509 HD23 ' CE1' ' A' ' 35' ' ' TYR . 0.6 OUTLIER -54.88 -67.22 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.237 -179.93 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.609 ' HB3' ' CE2' ' A' ' 30' ' ' TYR . 56.8 m -30.14 -59.2 0.18 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.536 1.147 . . . . 0.0 109.965 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.11 -57.02 14.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 0.0 109.293 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.7 OUTLIER -51.89 -31.99 30.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 110.457 179.898 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.563 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 50.6 m-85 -100.1 38.15 1.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 111.035 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.629 HD13 ' H ' ' A' ' 76' ' ' ILE . 0.4 OUTLIER -115.12 139.77 39.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.628 1.205 . . . . 0.0 109.248 -179.897 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.828 HD11 HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -122.25 -38.09 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.476 ' N ' HG12 ' A' ' 76' ' ' ILE . . . 177.41 -157.66 22.5 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.499 1.124 . . . . 0.0 111.039 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.443 ' HA ' ' HA ' ' A' ' 28' ' ' LYS . 1.9 pt-20 -126.61 168.43 14.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.777 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 1.068 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -104.8 146.04 29.53 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.565 1.165 . . . . 0.0 109.362 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.614 ' N ' HD22 ' A' ' 79' ' ' LEU . 4.3 t-160 . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 0.0 109.613 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.486 ' HB3' ' CZ ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -101.0 101.44 12.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 111.026 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.486 ' CZ ' ' HB3' ' A' ' 5' ' ' LYS . 23.2 m-85 -89.72 146.21 24.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.597 1.186 . . . . 0.0 110.978 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.2 p -69.85 151.18 46.01 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.501 1.126 . . . . 0.0 110.439 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.537 ' HA ' HD11 ' A' ' 12' ' ' ILE . 0.5 OUTLIER -57.72 -14.73 6.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.572 1.17 . . . . 0.0 109.338 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.428 ' O ' ' HB2' ' A' ' 13' ' ' GLN . 3.0 tt0 -72.39 -42.42 65.21 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.573 1.171 . . . . 0.0 110.275 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.486 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -48.58 -69.62 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.249 -179.928 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.537 HD11 ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -33.81 -53.09 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.362 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.428 ' HB2' ' O ' ' A' ' 10' ' ' GLU . 15.8 mm-40 -52.24 -53.67 40.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 11' ' ' GLU . 69.5 mmtt -52.21 -36.34 51.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.471 ' NE2' ' CG ' ' A' ' 11' ' ' GLU . 2.6 m-70 -87.32 58.35 4.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 109.548 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.99 31.67 5.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 109.331 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -143.44 161.51 38.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.342 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.742 ' O ' HG23 ' A' ' 33' ' ' THR . 5.1 m -50.14 -48.95 53.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 110.007 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.611 ' O ' HG21 ' A' ' 33' ' ' THR . 0.0 OUTLIER -43.65 -47.27 7.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.567 1.167 . . . . 0.0 109.283 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.1 p -138.03 99.1 3.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.006 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.702 HG21 HD23 ' A' ' 36' ' ' LEU . 1.6 m -110.82 112.15 23.81 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.433 1.083 . . . . 0.0 110.443 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.419 ' O ' ' C ' ' A' ' 50' ' ' ALA . 10.4 m0 -117.97 161.26 20.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 108.059 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.692 ' CG2' ' HB3' ' A' ' 54' ' ' ALA . 10.9 p -158.42 123.83 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.516 HG13 HG21 ' A' ' 12' ' ' ILE . 32.0 mt -71.54 110.96 4.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.642 HD22 ' CD2' ' A' ' 30' ' ' TYR . 2.3 mp -121.78 132.49 54.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.431 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 24.3 m80 37.27 39.9 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.592 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.431 ' HB2' ' O ' ' A' ' 26' ' ' HIS . 62.9 m170 68.97 52.22 0.52 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.548 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.519 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 2.7 ptmt -170.03 127.45 0.86 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.85 HG23 HD11 ' A' ' 76' ' ' ILE . 18.3 m -74.68 142.06 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.642 ' CD2' HD22 ' A' ' 25' ' ' LEU . 2.9 m-30 -116.86 106.95 14.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.977 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -73.76 76.15 1.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.342 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 pp -95.85 39.21 1.14 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.742 HG23 ' O ' ' A' ' 18' ' ' SER . 58.3 m -61.73 -49.59 75.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.409 1.068 . . . . 0.0 110.444 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.67 -37.87 73.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.552 ' HB2' ' CZ ' ' A' ' 74' ' ' TYR . 75.7 t80 -90.02 20.37 4.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.12 . . . . 0.0 110.949 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.702 HD23 HG21 ' A' ' 21' ' ' THR . 1.3 tm? -76.98 -47.3 21.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.35 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -89.52 -7.19 55.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.431 1.082 . . . . 0.0 110.309 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.73 -22.42 24.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.239 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.76 ' CE1' HD21 ' A' ' 46' ' ' LEU . 5.4 t-160 -50.08 124.78 17.76 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 109.603 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.542 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.3 Cg_endo -74.92 -30.95 6.76 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.492 1.785 . . . . 0.0 110.987 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.18 -66.42 2.46 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.459 1.099 . . . . 0.0 111.027 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -173.91 149.65 11.07 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.459 ' HA ' HD12 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -87.72 -19.01 28.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 0.786 . . . . 0.0 110.268 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.504 ' O ' ' N ' ' A' ' 48' ' ' GLU . 2.7 mt-10 -84.8 -53.55 5.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.306 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.405 HG12 ' H ' ' A' ' 45' ' ' VAL . 0.2 OUTLIER -40.11 -28.83 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 0.0 109.317 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.76 HD21 ' CE1' ' A' ' 39' ' ' HIS . 0.8 OUTLIER -84.75 -61.3 1.82 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 0.0 109.353 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.488 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 9.6 mtm180 -57.82 -57.38 13.01 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.336 1.023 . . . . 0.0 110.308 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' A' ' 44' ' ' GLU . 0.7 OUTLIER -34.19 -45.08 0.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.289 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -133.57 53.25 2.02 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.475 1.109 . . . . 0.0 110.228 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.488 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -73.01 -91.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.448 ' CA ' ' HB ' ' A' ' 12' ' ' ILE . . . -42.97 -28.71 0.75 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.448 1.092 . . . . 0.0 110.954 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 51' ' ' GLY . . . -59.86 -136.7 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -132.76 110.79 10.62 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.438 0.729 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.692 ' HB3' ' CG2' ' A' ' 23' ' ' VAL . . . -115.36 16.35 16.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.25 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.0 m -49.97 -58.74 4.84 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.132 . . . . 0.0 110.374 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.58 -41.15 80.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.154 . . . . 0.0 110.284 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.462 ' O ' HG13 ' A' ' 61' ' ' VAL . 2.2 m120 -65.96 -13.36 59.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.798 ' CD1' ' CE1' ' A' ' 63' ' ' HIS . 77.3 t80 -98.76 -40.03 8.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 111.031 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -81.09 -35.53 31.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 110.246 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -56.7 -42.63 79.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.708 HG22 ' O ' ' A' ' 58' ' ' PHE . 7.8 m -67.54 -18.52 23.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 62.81 84.02 0.07 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.421 1.076 . . . . 0.0 110.981 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.798 ' CE1' ' CD1' ' A' ' 58' ' ' PHE . 32.6 m80 -71.62 140.07 49.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 0.795 . . . . 0.0 109.63 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.22 169.62 17.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.014 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -50.97 -47.41 61.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.465 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 65' ' ' THR . 0.1 OUTLIER -40.67 -42.56 1.75 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 109.324 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.14 -48.16 71.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 65' ' ' THR . 25.6 ttt180 -40.07 -46.66 2.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -64.89 -54.77 25.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 110.275 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.501 HD23 ' CE1' ' A' ' 35' ' ' TYR . 0.9 OUTLIER -54.31 -67.83 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.368 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.585 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 5.0 p -32.82 -57.31 0.37 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.96 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.7 tttt -56.19 -52.44 64.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.463 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -57.35 -31.71 66.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.46 179.909 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.552 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 49.8 m-85 -99.64 38.78 1.39 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.44 1.088 . . . . 0.0 111.031 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -115.21 140.61 35.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.85 HD11 HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -122.72 -38.71 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.172 . . . . 0.0 109.281 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.465 ' N ' HG12 ' A' ' 76' ' ' ILE . . . 175.19 -162.21 31.75 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.469 1.106 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.419 ' O ' ' O ' ' A' ' 5' ' ' LYS . 1.9 mt-10 -122.34 169.7 10.68 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.53 0.782 . . . . 0.0 110.342 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.724 ' C ' HD22 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -104.18 150.25 24.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.35 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.576 ' O ' HD22 ' A' ' 79' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.56 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.581 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -101.04 103.82 14.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 111.001 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.581 ' CE1' ' HB3' ' A' ' 5' ' ' LYS . 16.9 m-85 -92.0 146.15 23.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.421 ' C ' ' N ' ' A' ' 10' ' ' GLU . 1.2 p -71.62 146.6 48.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 110.416 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.433 ' O ' HG12 ' A' ' 12' ' ' ILE . 0.4 OUTLIER -52.89 -18.07 1.74 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.444 1.09 . . . . 0.0 109.208 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.439 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -70.86 -40.55 72.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.277 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.499 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -49.04 -71.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.335 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.528 ' H ' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -32.04 -55.12 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 179.905 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.416 ' HB2' ' O ' ' A' ' 10' ' ' GLU . 18.7 mm-40 -48.92 -55.71 10.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 11' ' ' GLU . 67.9 mmtt -49.43 -35.52 19.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.568 1.167 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.496 ' CA ' ' O ' ' A' ' 20' ' ' SER . 2.7 m-70 -90.98 55.07 2.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 109.57 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.95 25.3 11.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -135.39 164.07 28.6 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.44 1.087 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.605 ' O ' HG23 ' A' ' 33' ' ' THR . 0.4 OUTLIER -51.62 -50.93 59.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.43 1.081 . . . . 0.0 109.962 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.686 ' O ' HG21 ' A' ' 33' ' ' THR . 12.3 mmtt -39.97 -51.32 2.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.496 ' O ' ' CA ' ' A' ' 15' ' ' HIS . 11.6 m -139.94 101.92 4.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.023 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.9 m -112.17 116.09 29.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 110.416 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.42 ' O ' ' C ' ' A' ' 50' ' ' ALA . 10.0 m0 -115.52 163.33 15.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 108.057 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.56 ' CG2' ' HB3' ' A' ' 54' ' ' ALA . 7.6 p -158.41 124.75 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.656 ' O ' HD12 ' A' ' 25' ' ' LEU . 20.1 mt -71.11 121.91 22.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.656 HD12 ' O ' ' A' ' 24' ' ' ILE . 2.2 mp -132.91 133.19 42.92 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.44 ' C ' ' O ' ' A' ' 25' ' ' LEU . 17.3 m80 36.82 39.76 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.607 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.2 m170 69.6 51.36 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.586 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.569 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -170.15 131.29 0.99 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.793 HG23 HD11 ' A' ' 76' ' ' ILE . 16.3 m -77.15 142.85 13.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.441 1.088 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.617 ' CD2' HD22 ' A' ' 25' ' ' LEU . 2.5 m-30 -118.27 104.91 11.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.92 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -73.2 80.34 1.29 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 36' ' ' LEU . 0.6 OUTLIER -98.68 28.33 4.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.096 . . . . 0.0 109.307 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.686 HG21 ' O ' ' A' ' 19' ' ' LYS . 69.8 m -50.07 -49.81 50.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.414 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm -68.47 -41.59 79.93 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.589 ' CD2' ' O ' ' A' ' 35' ' ' TYR . 83.1 t80 -89.95 25.51 2.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.797 HD11 HH11 ' A' ' 47' ' ' ARG . 2.0 tm? -82.08 -47.98 11.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.24 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -89.98 -6.76 55.3 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.471 1.107 . . . . 0.0 110.302 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -89.89 -21.58 22.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.306 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.613 ' CE1' HD21 ' A' ' 46' ' ' LEU . 6.3 t-160 -49.97 123.6 15.79 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.606 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.506 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.3 Cg_endo -75.03 -33.05 4.84 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.447 1.761 . . . . 0.0 110.947 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.18 -65.04 3.32 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.514 1.134 . . . . 0.0 111.063 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.18 148.68 10.11 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.496 ' HA ' HD12 ' A' ' 46' ' ' LEU . 3.8 pt-20 -88.92 -36.7 15.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 0.775 . . . . 0.0 110.297 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.527 ' O ' ' N ' ' A' ' 48' ' ' GLU . 1.9 mm-40 -67.55 -54.15 22.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.308 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.421 ' H ' HG12 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -39.89 -29.2 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.439 1.087 . . . . 0.0 109.296 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.613 HD21 ' CE1' ' A' ' 39' ' ' HIS . 1.8 mt -85.28 -58.83 2.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.797 HH11 HD11 ' A' ' 36' ' ' LEU . 76.2 mtm-85 -60.47 -57.92 10.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.432 1.083 . . . . 0.0 110.291 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.527 ' N ' ' O ' ' A' ' 44' ' ' GLU . 39.5 tt0 -33.39 -45.25 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.087 . . . . 0.0 110.268 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -132.55 52.79 2.05 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.47 1.106 . . . . 0.0 110.333 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.512 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -71.79 -92.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.41 ' CA ' ' HB ' ' A' ' 12' ' ' ILE . . . -39.51 -30.76 0.19 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.49 ' O ' HD12 ' A' ' 24' ' ' ILE . . . -61.16 -141.47 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -131.22 113.8 14.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 0.76 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.56 ' HB3' ' CG2' ' A' ' 23' ' ' VAL . . . -115.31 20.85 14.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.5 m -50.58 -60.05 3.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.335 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.453 ' HA ' ' CG ' ' A' ' 59' ' ' GLU . 16.5 mm-40 -65.25 -42.21 93.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.355 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.426 ' O ' HG13 ' A' ' 61' ' ' VAL . 1.9 m120 -65.68 -12.8 56.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.804 ' CD1' ' CE1' ' A' ' 63' ' ' HIS . 79.4 t80 -99.86 -41.05 7.4 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.448 1.093 . . . . 0.0 111.037 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.453 ' CG ' ' HA ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -81.56 -29.89 33.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 110.302 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.434 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 59.9 t0 -62.11 -41.45 98.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.649 HG22 ' O ' ' A' ' 58' ' ' PHE . 6.4 m -69.9 -17.67 21.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 62.31 85.45 0.05 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.53 1.143 . . . . 0.0 110.966 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' HIS . . . . . 0.804 ' CE1' ' CD1' ' A' ' 58' ' ' PHE . 36.3 m80 -72.73 140.02 47.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 0.723 . . . . 0.0 109.584 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.1 m -78.72 170.13 17.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.982 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 68' ' ' ARG . 0.9 OUTLIER -52.27 -46.7 65.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.366 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -41.55 -42.04 2.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.3 -46.87 75.47 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.592 1.182 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 65' ' ' THR . 0.0 OUTLIER -41.32 -44.71 2.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 110.281 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.63 -54.01 27.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.291 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.481 ' O ' ' C ' ' A' ' 71' ' ' SER . 0.8 OUTLIER -54.43 -68.52 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.585 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 2.3 p -31.85 -57.39 0.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 110.028 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.762 ' O ' HG22 ' A' ' 75' ' ' ILE . 0.6 OUTLIER -54.9 -54.6 40.52 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.462 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.7 OUTLIER -57.2 -30.69 64.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.345 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.53 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 48.6 m-85 -99.63 39.87 1.28 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.762 HG22 ' O ' ' A' ' 72' ' ' LYS . 5.3 tt -118.7 145.08 25.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.793 HD11 HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -127.17 -38.63 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.497 ' O ' HG22 ' A' ' 29' ' ' VAL . . . 174.27 -167.7 40.19 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.481 1.113 . . . . 0.0 111.023 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -116.18 170.0 8.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.436 0.727 . . . . 0.0 110.334 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.775 ' C ' HD22 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -107.02 150.46 26.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.483 ' O ' HD22 ' A' ' 79' ' ' LEU . 3.9 t-160 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.577 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.45 ' CG1' ' CE1' ' A' ' 6' ' ' TYR . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.503 ' HA ' ' CE ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -114.29 119.89 38.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.311 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.45 ' CE1' ' CG1' ' A' ' 4' ' ' VAL . 35.4 m-85 -100.59 113.52 26.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 111.023 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.474 ' CZ ' ' HB3' ' A' ' 5' ' ' LYS . 18.4 m-85 -102.79 148.99 24.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 110.978 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.401 ' C ' ' N ' ' A' ' 10' ' ' GLU . 0.4 OUTLIER -76.54 146.28 38.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.567 1.167 . . . . 0.0 110.359 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.464 ' HA ' HD11 ' A' ' 12' ' ' ILE . 1.3 pt? -53.47 -18.83 3.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.546 1.153 . . . . 0.0 109.331 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.401 ' N ' ' C ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -66.55 -31.04 71.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 110.334 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.514 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.1 OUTLIER -61.64 -75.75 0.07 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 110.257 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.514 ' C ' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -31.75 -44.87 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.241 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -55.0 -73.5 0.05 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.72 -22.35 5.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.365 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.451 ' CD2' ' CG ' ' A' ' 11' ' ' GLU . 74.0 m-70 -96.7 45.88 1.05 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.501 1.125 . . . . 0.0 109.6 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.419 ' HG2' ' HB3' ' A' ' 50' ' ' ALA . 4.1 tmtt? -109.98 24.3 13.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -119.38 169.3 10.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.572 ' O ' HG23 ' A' ' 33' ' ' THR . 0.6 OUTLIER -58.27 -45.51 87.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.996 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.486 ' O ' HG21 ' A' ' 33' ' ' THR . 0.4 OUTLIER -43.88 -52.84 6.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.2 m -135.69 95.92 3.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.015 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.759 HG21 HD23 ' A' ' 36' ' ' LEU . 1.4 m -98.61 112.45 24.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.102 . . . . 0.0 110.388 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.4 ' O ' ' C ' ' A' ' 50' ' ' ALA . 10.3 m0 -118.24 157.48 26.94 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.685 HG22 HD13 ' A' ' 25' ' ' LEU . 4.2 p -154.7 122.95 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.157 . . . . 0.0 109.248 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.492 HG13 HG21 ' A' ' 12' ' ' ILE . 16.9 mt -68.77 113.89 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.685 HD13 HG22 ' A' ' 23' ' ' VAL . 1.8 mp -124.87 118.48 26.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.55 ' O ' ' CG ' ' A' ' 27' ' ' HIS . 13.8 m80 39.9 61.44 1.47 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.604 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.55 ' CG ' ' O ' ' A' ' 26' ' ' HIS . 27.9 p80 50.66 51.21 17.39 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.503 1.127 . . . . 0.0 109.695 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.426 ' HG2' HD11 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -169.96 113.2 0.48 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 109.227 -179.917 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.766 HG23 HD11 ' A' ' 76' ' ' ILE . 10.8 m -71.27 141.94 16.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.62 ' CD2' HD22 ' A' ' 25' ' ' LEU . 4.5 m-30 -116.84 109.99 17.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 111.005 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -79.52 77.04 6.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.473 HD11 HD13 ' A' ' 46' ' ' LEU . 0.6 OUTLIER -93.91 39.66 1.07 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.328 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.572 HG23 ' O ' ' A' ' 18' ' ' SER . 55.6 m -61.87 -49.62 75.53 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.416 1.073 . . . . 0.0 110.385 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.31 -41.71 84.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.531 ' HB2' ' CZ ' ' A' ' 74' ' ' TYR . 91.5 t80 -89.92 21.69 3.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 110.95 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.759 HD23 HG21 ' A' ' 21' ' ' THR . 1.9 tm? -74.98 -51.12 14.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -87.5 -9.23 55.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.301 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.03 -23.01 28.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.346 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.723 ' CE1' HD21 ' A' ' 46' ' ' LEU . 5.1 t-160 -49.91 126.55 19.44 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.568 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.595 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.0 Cg_endo -75.08 -28.83 8.71 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.555 1.819 . . . . 0.0 110.981 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.55 -68.31 1.7 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.48 1.112 . . . . 0.0 110.969 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.09 148.38 9.95 Favored Glycine 0 CA--C 1.53 1.009 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.469 ' HA ' HD12 ' A' ' 46' ' ' LEU . 0.5 OUTLIER -85.77 -18.44 32.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.781 . . . . 0.0 110.305 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 48' ' ' GLU . 7.7 tt0 -85.28 -54.1 4.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.415 1.072 . . . . 0.0 110.311 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.536 HG22 ' CAC' ' A' ' 95' ' ' HEM . 0.2 OUTLIER -40.17 -28.84 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.09 . . . . 0.0 109.322 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.723 HD21 ' CE1' ' A' ' 39' ' ' HIS . 0.9 OUTLIER -85.09 -61.52 1.75 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.615 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 22.9 mtm180 -57.13 -56.7 18.38 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.544 1.152 . . . . 0.0 110.312 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 44' ' ' GLU . 3.2 tp10 -34.17 -45.09 0.2 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.314 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.474 ' HG3' ' HB2' ' A' ' 54' ' ' ALA . 22.2 pt20 -129.64 48.12 2.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.577 1.173 . . . . 0.0 110.272 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.615 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -70.13 -92.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.352 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 52' ' ' GLY . . . -41.84 -32.94 1.02 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.535 1.147 . . . . 0.0 110.97 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.411 ' O ' HD12 ' A' ' 24' ' ' ILE . . . -59.51 -141.43 0.01 OUTLIER Glycine 0 CA--C 1.529 0.944 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -129.55 111.13 12.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 0.731 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.62 ' HB3' ' CG2' ' A' ' 23' ' ' VAL . . . -112.79 19.33 17.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.0 m -50.51 -61.35 2.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 110.471 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.421 ' HA ' ' CG ' ' A' ' 59' ' ' GLU . 14.3 mt-10 -66.1 -40.53 90.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 110.325 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -65.99 -13.28 59.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.794 ' CD1' ' CE1' ' A' ' 63' ' ' HIS . 75.1 t80 -99.91 -40.3 7.74 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.612 1.195 . . . . 0.0 110.97 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.421 ' CG ' ' HA ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -81.38 -30.39 33.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.111 . . . . 0.0 110.243 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.412 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 49.0 t0 -60.39 -44.08 96.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.97 HG11 HMD1 ' A' ' 95' ' ' HEM . 9.1 m -67.3 -17.56 22.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 109.259 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 62.22 84.13 0.06 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.499 1.124 . . . . 0.0 111.044 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.794 ' CE1' ' CD1' ' A' ' 58' ' ' PHE . 35.3 m80 -71.47 140.13 49.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 0.786 . . . . 0.0 109.574 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.26 170.03 15.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.426 1.079 . . . . 0.0 109.997 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -50.3 -46.79 55.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.362 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.8 t0 -41.09 -40.6 1.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.25 -46.72 66.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.339 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 65' ' ' THR . 4.5 ttp180 -42.52 -45.25 4.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 110.338 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.22 -50.55 67.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.472 1.108 . . . . 0.0 110.301 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 73' ' ' THR . 1.1 mp -61.07 -66.51 0.52 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.595 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 5.3 p -33.93 -55.51 0.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.005 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.54 ' O ' HG22 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -58.22 -51.09 71.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.357 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -59.18 -29.98 67.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.373 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.531 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 40.9 m-85 -100.05 39.74 1.31 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.957 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.54 HG22 ' O ' ' A' ' 72' ' ' LYS . 4.6 tt -113.83 139.89 37.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 109.342 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.766 HD11 HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -124.64 -37.21 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 109.339 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.698 ' O ' HG22 ' A' ' 29' ' ' VAL . . . 169.69 -175.82 43.74 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.549 1.156 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -109.08 170.07 8.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 0.777 . . . . 0.0 110.304 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.696 ' C ' HD22 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -104.91 152.16 22.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.256 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.557 ' O ' HD22 ' A' ' 79' ' ' LEU . 0.5 OUTLIER -38.68 108.66 0.47 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.598 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 0.77 8.52 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.493 1.786 . . . . 0.0 110.964 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 49.6 t0 -76.7 -45.05 31.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -91.13 -7.41 51.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.419 1.074 . . . . 0.0 109.295 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 11.2 ttp180 -71.7 -37.26 70.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.293 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.517 ' OG ' ' HB3' ' A' ' 88' ' ' ALA . 39.2 t -90.85 45.77 1.28 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.547 1.154 . . . . 0.0 110.009 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.06 -22.12 45.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.6 mp -81.84 -54.67 9.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.517 ' HB3' ' OG ' ' A' ' 85' ' ' SER . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' HEM . . . . . 0.97 HMD1 HG11 ' A' ' 61' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.468 ' CG1' ' CE1' ' A' ' 6' ' ' TYR . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.48 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -111.9 120.79 43.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.468 ' CE1' ' CG1' ' A' ' 4' ' ' VAL . 30.5 m-85 -99.29 124.23 44.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.603 1.19 . . . . 0.0 111.034 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.48 ' CE1' ' HB3' ' A' ' 5' ' ' LYS . 13.5 m-85 -111.5 146.34 37.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.387 1.054 . . . . 0.0 111.008 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.413 ' C ' ' N ' ' A' ' 10' ' ' GLU . 1.7 p -73.76 145.94 44.69 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 110.39 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.407 ' O ' HG12 ' A' ' 12' ' ' ILE . 1.4 pt? -52.75 -18.87 2.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.413 ' N ' ' C ' ' A' ' 8' ' ' THR . 1.1 mt-10 -63.56 -33.72 76.23 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.46 1.1 . . . . 0.0 110.27 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.493 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -61.61 -74.61 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 110.236 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.498 ' H ' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -33.61 -40.7 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.432 ' C ' ' N ' ' A' ' 15' ' ' HIS . 5.7 mm-40 -61.8 -82.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 110.315 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.426 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -41.76 -29.29 0.19 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.472 1.108 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.447 ' C ' ' O ' ' A' ' 20' ' ' SER . 85.2 m-70 -91.29 48.31 1.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 109.603 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.6 pttt -110.2 30.71 6.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.363 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 20' ' ' SER . 0.1 OUTLIER -129.32 163.69 25.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.611 ' O ' HG23 ' A' ' 33' ' ' THR . 0.1 OUTLIER -48.85 -53.98 17.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.033 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.572 ' O ' HG21 ' A' ' 33' ' ' THR . 0.0 OUTLIER -44.19 -45.31 8.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 15' ' ' HIS . 23.6 p -137.41 99.21 3.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 110.034 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.519 HG21 ' CD2' ' A' ' 36' ' ' LEU . 0.5 OUTLIER -114.31 109.82 18.96 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.454 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.42 ' O ' ' C ' ' A' ' 50' ' ' ALA . 10.2 m0 -115.96 162.12 17.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 107.999 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.696 HG22 HD13 ' A' ' 25' ' ' LEU . 2.5 p -158.66 121.84 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 8.2 mt -68.91 108.58 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.564 1.165 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.696 HD13 HG22 ' A' ' 23' ' ' VAL . 0.6 OUTLIER -117.11 120.76 39.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 179.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 39.73 53.74 2.52 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.428 1.08 . . . . 0.0 109.569 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 56.7 51.91 10.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.588 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -169.95 106.33 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.108 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.826 HG23 HD11 ' A' ' 76' ' ' ILE . 6.2 m -62.9 141.6 17.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.564 1.165 . . . . 0.0 109.338 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.619 ' CE2' HD23 ' A' ' 25' ' ' LEU . 3.6 m-30 -117.14 108.82 16.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.918 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.407 ' HA ' ' CD1' ' A' ' 22' ' ' TRP . 23.9 t0 -78.21 78.25 4.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.471 HD11 HD13 ' A' ' 46' ' ' LEU . 0.5 OUTLIER -95.34 36.29 1.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.252 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.611 HG23 ' O ' ' A' ' 18' ' ' SER . 54.3 m -56.86 -52.26 65.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.465 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.89 -41.14 91.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.539 ' HB2' ' CZ ' ' A' ' 74' ' ' TYR . 85.7 t80 -89.33 19.46 4.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 110.9 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.635 ' C ' HD13 ' A' ' 36' ' ' LEU . 2.5 tm? -75.84 -48.32 22.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 0.0 109.332 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -90.06 -9.84 46.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 110.301 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.15 -23.11 28.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.326 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.704 ' CE1' HD21 ' A' ' 46' ' ' LEU . 5.0 t-160 -50.08 126.88 20.91 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.44 1.088 . . . . 0.0 109.598 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.602 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.2 Cg_endo -75.0 -26.55 10.8 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.484 1.781 . . . . 0.0 110.984 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.84 -68.47 1.64 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.495 1.122 . . . . 0.0 111.088 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.1 145.03 7.89 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.4 -7.47 59.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 0.746 . . . . 0.0 110.293 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.463 ' C ' ' N ' ' A' ' 46' ' ' LEU . 34.9 tt0 -97.22 -52.9 3.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 110.242 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.471 HG22 ' CAC' ' A' ' 95' ' ' HEM . 0.2 OUTLIER -40.24 -28.42 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.704 HD21 ' CE1' ' A' ' 39' ' ' HIS . 0.3 OUTLIER -87.03 -49.72 7.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.335 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.611 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 5.0 mtp-105 -65.25 -60.06 3.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.591 1.182 . . . . 0.0 110.31 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.464 ' C ' ' O ' ' A' ' 47' ' ' ARG . 28.6 tt0 -33.42 -45.09 0.15 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.122 . . . . 0.0 110.271 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -129.14 47.78 2.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.321 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.611 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -71.99 -90.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -40.78 -33.12 0.58 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.458 1.099 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.31 -137.01 0.01 OUTLIER Glycine 0 CA--C 1.53 1.03 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -136.17 115.02 12.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 0.793 . . . . 0.0 109.292 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.55 ' HB3' HG21 ' A' ' 23' ' ' VAL . . . -112.03 25.68 11.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.44 1.087 . . . . 0.0 109.225 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 28.5 m -50.43 -72.1 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 110.439 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 60' ' ' ASP . 18.4 mt-10 -59.44 -36.23 75.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.096 . . . . 0.0 110.318 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.615 ' O ' HG13 ' A' ' 61' ' ' VAL . 2.7 m120 -63.33 -23.68 67.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 109.321 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.624 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.5 OUTLIER -91.94 -39.83 11.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 111.03 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -77.52 -30.99 53.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.286 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 56' ' ' GLU . 56.7 t0 -62.7 -43.85 97.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.652 1.22 . . . . 0.0 109.22 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.945 HG11 HMD1 ' A' ' 95' ' ' HEM . 5.4 m -70.0 -17.21 20.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.139 . . . . 0.0 109.3 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 59.27 84.8 0.04 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.457 1.098 . . . . 0.0 110.979 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.475 ' CE1' ' CG2' ' A' ' 61' ' ' VAL . 36.4 m80 -69.94 140.01 52.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 0.76 . . . . 0.0 109.612 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.57 170.0 16.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.03 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -51.49 -46.53 63.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.377 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -41.94 -41.14 2.39 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.56 1.163 . . . . 0.0 109.323 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.3 -46.2 74.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.328 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 65' ' ' THR . 3.7 ttt180 -43.07 -40.87 3.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.37 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -69.32 -53.33 20.18 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 110.366 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.475 ' O ' ' C ' ' A' ' 71' ' ' SER . 0.8 OUTLIER -57.23 -65.83 0.56 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.258 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.608 ' HB3' ' CE2' ' A' ' 30' ' ' TYR . 58.8 m -32.74 -58.51 0.35 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 110.005 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.615 ' O ' HG22 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -56.4 -51.56 67.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.457 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.7 OUTLIER -57.69 -31.36 66.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.407 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.539 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 45.0 m-85 -100.04 41.61 1.15 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.425 1.078 . . . . 0.0 110.987 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.615 HG22 ' O ' ' A' ' 72' ' ' LYS . 6.6 tt -116.06 139.93 40.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.826 HD11 HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -123.3 -38.83 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.474 ' N ' HG12 ' A' ' 76' ' ' ILE . . . 173.6 -162.38 33.3 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.482 1.114 . . . . 0.0 111.038 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -119.84 170.07 9.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.515 0.774 . . . . 0.0 110.351 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.753 ' C ' HD22 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -98.7 144.54 27.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.646 ' O ' HD22 ' A' ' 79' ' ' LEU . 0.3 OUTLIER -38.52 120.05 1.09 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.583 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.492 ' HA ' ' HB3' ' A' ' 84' ' ' ARG . 18.2 Cg_endo -75.05 -4.55 15.57 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.53 1.805 . . . . 0.0 111.014 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -80.31 -33.53 37.5 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.566 1.166 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -99.96 -8.82 23.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.529 1.143 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.492 ' HB3' ' HA ' ' A' ' 81' ' ' PRO . 0.0 OUTLIER -60.2 -22.68 63.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.3 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -109.37 45.64 1.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.997 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -100.01 38.88 1.4 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 109.3 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.3 mp -99.9 -59.76 3.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.168 . . . . 0.0 109.318 179.958 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' HEM . . . . . 0.945 HMD1 HG11 ' A' ' 61' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.463 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -115.89 124.02 49.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.118 . . . . 0.0 109.295 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -100.56 111.82 24.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.435 1.085 . . . . 0.0 111.027 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.463 ' CE1' ' HB3' ' A' ' 5' ' ' LYS . 20.3 m-85 -100.02 149.71 23.19 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.563 1.165 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.1 p -79.13 151.47 31.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 110.445 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.428 ' HA ' HD11 ' A' ' 12' ' ' ILE . 1.5 pt? -55.7 -18.29 7.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.412 ' N ' HD23 ' A' ' 9' ' ' LEU . 2.1 mm-40 -65.48 -34.35 78.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.459 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -61.71 -72.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.378 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.504 HG21 HG13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -36.0 -42.06 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 0.0 109.291 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.408 ' C ' ' N ' ' A' ' 15' ' ' HIS . 2.2 mm-40 -59.4 -78.84 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.399 1.062 . . . . 0.0 110.299 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.411 ' HE3' ' NE2' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -46.42 -26.4 0.84 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 0.0 109.253 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.416 ' NE2' ' HG3' ' A' ' 11' ' ' GLU . 81.1 m-70 -93.55 43.67 1.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 109.586 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -108.23 23.59 14.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.329 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -119.72 169.35 10.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.672 ' O ' HG23 ' A' ' 33' ' ' THR . 0.5 OUTLIER -57.08 -49.09 76.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.017 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.579 ' O ' HG21 ' A' ' 33' ' ' THR . 3.4 ptpt -43.14 -46.63 5.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.405 ' N ' ' HG3' ' A' ' 19' ' ' LYS . 25.9 m -139.88 98.55 3.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.526 1.141 . . . . 0.0 110.059 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.588 HG21 HD23 ' A' ' 36' ' ' LEU . 1.9 m -103.42 110.26 22.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.415 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 8.6 m0 -115.67 158.08 23.29 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.62 ' CG2' ' HB3' ' A' ' 54' ' ' ALA . 8.6 p -157.26 121.19 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.504 HG13 HG21 ' A' ' 12' ' ' ILE . 8.0 mt -68.43 106.32 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.253 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.631 HD23 ' CE2' ' A' ' 30' ' ' TYR . 0.5 OUTLIER -117.44 122.29 43.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.417 ' C ' ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER 38.99 55.57 2.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.566 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.5 m80 52.86 51.89 15.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 109.622 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt -168.91 99.32 0.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.283 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.817 HG23 HD11 ' A' ' 76' ' ' ILE . 11.5 m -56.53 140.3 14.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.631 ' CE2' HD23 ' A' ' 25' ' ' LEU . 4.8 m-30 -115.91 107.71 15.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 111.031 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -77.22 74.75 3.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.406 1.066 . . . . 0.0 109.294 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.434 HD22 ' HAB' ' A' ' 95' ' ' HEM . 0.9 OUTLIER -92.71 44.95 1.17 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.528 1.142 . . . . 0.0 109.243 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.672 HG23 ' O ' ' A' ' 18' ' ' SER . 92.8 m -66.05 -49.43 67.71 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.504 1.127 . . . . 0.0 110.377 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.05 -36.01 72.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.56 ' HB2' ' CZ ' ' A' ' 74' ' ' TYR . 80.4 t80 -89.71 14.81 10.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 111.019 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.626 ' C ' HD13 ' A' ' 36' ' ' LEU . 1.8 tm? -71.59 -45.61 61.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.262 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -90.06 -9.29 49.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.1 . . . . 0.0 110.307 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.84 -24.91 28.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 110.283 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.77 ' CE1' HD21 ' A' ' 46' ' ' LEU . 5.1 t-160 -50.88 123.5 18.75 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.639 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.453 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.4 Cg_endo -75.02 -30.71 6.84 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.447 1.762 . . . . 0.0 111.026 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.01 -65.57 3.04 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.524 1.14 . . . . 0.0 111.034 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.1 145.31 8.05 Favored Glycine 0 CA--C 1.529 0.946 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.406 ' HA ' HD12 ' A' ' 46' ' ' LEU . 1.5 pt-20 -86.95 -7.63 57.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 0.732 . . . . 0.0 110.264 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' A' ' 48' ' ' GLU . 1.2 tp10 -98.19 -53.78 3.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.427 ' H ' HG12 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -40.04 -28.72 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.77 HD21 ' CE1' ' A' ' 39' ' ' HIS . 1.2 mt -80.87 -58.22 3.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.631 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 57.2 mtm180 -62.39 -50.32 72.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.224 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 44' ' ' GLU . 7.3 pt-20 -35.97 -36.43 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 110.335 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.601 HE22 ' ND2' ' A' ' 57' ' ' ASN . 13.3 pt20 -143.24 45.84 1.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.434 1.084 . . . . 0.0 110.319 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.631 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -65.48 -87.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.401 ' O ' ' HB ' ' A' ' 12' ' ' ILE . . . -44.49 -30.73 2.19 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.46 1.1 . . . . 0.0 110.982 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.501 ' O ' HD12 ' A' ' 24' ' ' ILE . . . -60.36 -137.21 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -134.16 111.46 10.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 0.785 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.62 ' HB3' ' CG2' ' A' ' 23' ' ' VAL . . . -111.12 23.29 14.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.354 1.034 . . . . 0.0 109.315 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 17.5 m -50.76 -69.96 0.1 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 110.408 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 23.5 mt-10 -62.18 -38.83 90.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.412 1.07 . . . . 0.0 110.24 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.601 ' ND2' HE22 ' A' ' 49' ' ' GLN . 8.6 m-80 -61.59 -20.32 63.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.701 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.6 OUTLIER -95.33 -40.2 9.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -77.3 -34.64 55.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.28 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' A' ' 56' ' ' GLU . 12.0 t70 -59.09 -42.14 89.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.975 HG11 HMD1 ' A' ' 95' ' ' HEM . 5.0 m -70.97 -16.41 19.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 57.8 85.27 0.03 OUTLIER Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.549 1.155 . . . . 0.0 111.029 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.479 ' CE1' ' CG2' ' A' ' 61' ' ' VAL . 34.7 m80 -69.98 140.04 52.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.433 0.725 . . . . 0.0 109.598 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.7 m -81.55 170.14 16.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.002 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -50.95 -46.3 60.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 110.431 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -41.04 -41.36 1.67 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.336 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.39 -46.51 66.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.256 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 65' ' ' THR . 3.2 ttt85 -39.21 -45.89 1.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.316 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -66.84 -54.99 16.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.562 1.164 . . . . 0.0 110.266 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.467 ' O ' ' C ' ' A' ' 71' ' ' SER . 0.8 OUTLIER -55.32 -66.85 0.34 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.276 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.606 ' HB3' ' CE2' ' A' ' 30' ' ' TYR . 74.0 m -33.12 -58.0 0.38 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 109.986 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.26 -50.15 74.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.46 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -57.66 -31.35 66.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.44 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.56 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 44.0 m-85 -100.0 37.94 1.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 111.075 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -112.15 139.85 34.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.35 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.817 HD11 HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -123.15 -38.01 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.496 ' N ' HG12 ' A' ' 76' ' ' ILE . . . 174.69 -159.76 28.64 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.553 1.158 . . . . 0.0 110.991 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -122.68 170.13 10.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 0.784 . . . . 0.0 110.244 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 1.076 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -105.97 150.86 25.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.643 ' N ' HD22 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -37.84 115.05 0.77 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.622 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.42 ' HA ' ' HB3' ' A' ' 84' ' ' ARG . 18.1 Cg_endo -74.97 -17.44 19.61 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.521 1.8 . . . . 0.0 110.955 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.96 -34.58 38.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -100.11 18.73 17.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.42 ' HB3' ' HA ' ' A' ' 81' ' ' PRO . 20.1 ptt180 -76.07 -14.56 60.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 110.303 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 43.1 t -109.88 21.05 17.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.6 1.187 . . . . 0.0 110.022 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.65 30.76 3.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.6 mp -96.13 -47.84 12.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.335 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 109.295 179.982 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' HEM . . . . . 0.975 HMD1 HG11 ' A' ' 61' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.407 ' CG1' ' CE1' ' A' ' 6' ' ' TYR . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.523 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -115.13 121.26 42.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.407 ' CE1' ' CG1' ' A' ' 4' ' ' VAL . 32.3 m-85 -100.98 109.21 21.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.967 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.523 ' CE1' ' HB3' ' A' ' 5' ' ' LYS . 15.9 m-85 -97.4 151.51 19.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 111.065 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.9 p -83.9 149.13 26.54 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.535 1.147 . . . . 0.0 110.363 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -53.55 -18.99 3.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.15 -38.13 89.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.311 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.47 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -58.63 -73.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.567 1.167 . . . . 0.0 110.323 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.586 HG21 HG13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -35.3 -44.67 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.359 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.415 ' C ' ' N ' ' A' ' 15' ' ' HIS . 12.9 mm-40 -55.96 -78.97 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 110.335 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -47.55 -24.42 0.86 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.563 1.165 . . . . 0.0 109.197 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.415 ' N ' ' C ' ' A' ' 13' ' ' GLN . 82.3 m-70 -94.13 43.8 1.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.641 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.412 ' HG3' ' HB3' ' A' ' 50' ' ' ALA . 7.6 ttpp -110.16 32.94 4.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -129.82 161.71 30.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.568 1.167 . . . . 0.0 109.316 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.532 ' O ' HG23 ' A' ' 33' ' ' THR . 0.5 OUTLIER -47.35 -50.23 22.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.948 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.564 ' O ' HG21 ' A' ' 33' ' ' THR . 11.8 mptt -39.42 -58.82 1.17 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.8 m -135.83 96.49 3.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.013 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.4 m -102.29 109.87 21.66 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 110.383 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.409 ' O ' ' C ' ' A' ' 50' ' ' ALA . 11.0 m0 -109.05 162.39 14.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 107.962 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.483 ' CG1' ' HB2' ' A' ' 30' ' ' TYR . 14.7 p -154.0 119.74 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.586 HG13 HG21 ' A' ' 12' ' ' ILE . 23.4 mt -69.54 113.39 5.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.64 HD22 ' CD2' ' A' ' 30' ' ' TYR . 1.6 mp -122.18 115.73 22.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.4 ' C ' ' O ' ' A' ' 25' ' ' LEU . 7.6 p-80 38.83 60.31 1.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.622 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.558 ' CD2' ' HG2' ' A' ' 84' ' ' ARG . 64.5 m80 53.48 52.65 12.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.595 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.1 mttp -169.56 107.07 0.39 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.397 1.061 . . . . 0.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.812 HG23 HD11 ' A' ' 76' ' ' ILE . 10.2 m -69.1 140.37 18.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.575 1.172 . . . . 0.0 109.3 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.64 ' CD2' HD22 ' A' ' 25' ' ' LEU . 4.5 m-30 -116.81 107.84 15.12 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.49 1.119 . . . . 0.0 110.984 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -76.27 73.29 3.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' A' ' 36' ' ' LEU . 0.9 OUTLIER -90.81 38.51 0.95 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.564 HG21 ' O ' ' A' ' 19' ' ' LYS . 92.2 m -60.2 -54.99 39.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.378 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.52 -43.6 98.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.588 ' CD2' ' O ' ' A' ' 35' ' ' TYR . 88.0 t80 -90.05 27.14 1.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 111.0 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.609 ' C ' HD13 ' A' ' 36' ' ' LEU . 2.6 tm? -80.33 -49.11 11.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.282 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -89.95 -9.38 49.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.309 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.6 -21.26 28.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.338 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.625 ' CE1' HD21 ' A' ' 46' ' ' LEU . 5.5 t-160 -50.02 125.17 18.03 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.569 1.168 . . . . 0.0 109.607 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.568 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.3 Cg_endo -74.94 -28.59 9.16 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.437 1.756 . . . . 0.0 111.081 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.46 -66.76 2.22 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.461 1.101 . . . . 0.0 111.066 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -173.99 146.54 8.79 Favored Glycine 0 CA--C 1.531 1.062 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.521 ' HA ' HD12 ' A' ' 46' ' ' LEU . 11.2 pt-20 -85.89 -29.91 23.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 0.766 . . . . 0.0 110.29 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.527 ' O ' ' N ' ' A' ' 48' ' ' GLU . 0.4 OUTLIER -73.75 -54.99 6.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.234 -179.911 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.539 HG22 ' CAC' ' A' ' 95' ' ' HEM . 0.2 OUTLIER -39.86 -29.45 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.625 HD21 ' CE1' ' A' ' 39' ' ' HIS . 2.0 mt -84.14 -63.54 1.33 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.632 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 1.1 mtm105 -57.2 -56.58 20.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.328 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.527 ' N ' ' O ' ' A' ' 44' ' ' GLU . 17.5 tp10 -33.27 -45.53 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.3 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.602 HE22 ' ND2' ' A' ' 57' ' ' ASN . 24.9 pt20 -130.73 47.4 2.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.32 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.632 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -68.5 -89.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.257 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.442 ' O ' ' HB ' ' A' ' 12' ' ' ILE . . . -42.61 -32.13 1.23 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.553 1.158 . . . . 0.0 111.023 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.464 ' O ' HD12 ' A' ' 24' ' ' ILE . . . -60.16 -137.54 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -136.89 109.91 7.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 0.757 . . . . 0.0 109.356 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.555 ' HB2' ' HG3' ' A' ' 49' ' ' GLN . . . -112.58 27.33 9.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 1.151 . . . . 0.0 109.321 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.3 m -55.17 -59.05 5.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.361 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -66.33 -41.37 89.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 110.263 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.602 ' ND2' HE22 ' A' ' 49' ' ' GLN . 1.7 m120 -64.92 -14.33 59.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.813 ' CD1' ' CE1' ' A' ' 63' ' ' HIS . 78.0 t80 -98.57 -39.99 8.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 110.987 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -80.53 -34.98 35.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 51.9 t0 -57.42 -43.69 84.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.361 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.984 HG11 HMD1 ' A' ' 95' ' ' HEM . 9.5 m -67.22 -17.58 22.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.517 1.135 . . . . 0.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 61.31 84.02 0.06 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.538 1.149 . . . . 0.0 111.022 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.813 ' CE1' ' CD1' ' A' ' 58' ' ' PHE . 31.6 m80 -70.89 140.0 50.94 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 0.772 . . . . 0.0 109.668 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.0 p -80.63 170.04 16.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.973 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -52.15 -43.44 64.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.393 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -43.71 -41.13 4.63 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.531 1.145 . . . . 0.0 109.253 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.71 -46.72 71.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.123 . . . . 0.0 109.327 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.12 -46.88 3.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.263 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.11 -54.41 38.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 110.298 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.465 ' O ' ' C ' ' A' ' 71' ' ' SER . 1.2 mp -56.34 -66.2 0.48 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 1.091 . . . . 0.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.592 ' HB3' ' CE2' ' A' ' 30' ' ' TYR . 58.8 m -33.65 -57.93 0.43 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.962 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.7 ' O ' HG22 ' A' ' 75' ' ' ILE . 1.9 tttt -56.28 -51.0 69.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.1 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -58.76 -30.56 67.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.378 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.543 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 40.2 m-85 -100.06 39.55 1.33 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.512 1.132 . . . . 0.0 111.028 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.7 HG22 ' O ' ' A' ' 72' ' ' LYS . 6.1 tt -114.69 140.0 37.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.812 HD11 HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -123.1 -37.82 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 109.356 179.923 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.445 ' N ' HG12 ' A' ' 76' ' ' ILE . . . 175.68 -167.98 40.1 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.548 1.155 . . . . 0.0 110.967 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -116.22 169.92 8.92 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 0.749 . . . . 0.0 110.347 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.724 ' C ' HD22 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -102.49 150.15 23.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.555 1.159 . . . . 0.0 109.31 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.527 ' O ' HD22 ' A' ' 79' ' ' LEU . 0.4 OUTLIER -47.6 113.29 2.5 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.612 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 -5.88 17.36 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.483 1.78 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -79.67 -32.87 41.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -100.09 -14.69 18.48 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.234 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.699 ' HB2' HD21 ' A' ' 79' ' ' LEU . 12.3 tpt180 -59.9 -34.99 73.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.333 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.1 t -81.34 -18.72 44.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.538 1.148 . . . . 0.0 110.004 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -92.59 35.36 1.03 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 4.2 tp -80.27 -39.97 19.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.611 1.194 . . . . 0.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 109.246 -179.98 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' HEM . . . . . 0.984 HMD1 HG11 ' A' ' 61' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.497 ' CG1' ' CE1' ' A' ' 6' ' ' TYR . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.415 ' CE ' ' HA ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -110.95 120.48 42.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.262 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.497 ' CE1' ' CG1' ' A' ' 4' ' ' VAL . 32.9 m-85 -100.96 113.82 27.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 111.068 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -101.57 160.0 14.81 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.524 1.14 . . . . 0.0 110.982 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.435 ' C ' ' N ' ' A' ' 10' ' ' GLU . 1.5 p -89.71 140.27 29.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.383 1.052 . . . . 0.0 110.401 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.644 HD12 ' HB3' ' A' ' 86' ' ' LYS . 1.3 pt? -47.23 -22.54 0.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 109.245 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.489 ' N ' HD23 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -63.2 -31.68 72.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.496 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.6 OUTLIER -62.45 -75.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.281 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.522 HG21 HG13 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -33.31 -40.28 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.326 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 11' ' ' GLU . 5.1 mm100 -59.85 -70.42 0.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.345 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -54.12 -29.97 46.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.363 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.426 ' NE2' ' HG3' ' A' ' 11' ' ' GLU . 75.4 m-70 -89.76 46.98 1.41 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.135 . . . . 0.0 109.565 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -109.63 20.23 18.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -116.5 169.77 9.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.705 ' O ' HG23 ' A' ' 33' ' ' THR . 0.3 OUTLIER -57.85 -49.73 75.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.967 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.553 ' O ' HG21 ' A' ' 33' ' ' THR . 0.0 OUTLIER -44.37 -45.73 9.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 42.1 m -138.07 96.59 3.23 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.54 1.15 . . . . 0.0 110.081 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.557 HG21 HD23 ' A' ' 36' ' ' LEU . 2.4 m -103.17 110.0 21.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 110.369 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 11.1 m0 -116.79 157.53 25.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 107.974 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.622 HG21 ' HB3' ' A' ' 54' ' ' ALA . 3.9 p -156.09 122.77 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.249 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.522 HG13 HG21 ' A' ' 12' ' ' ILE . 40.4 mt -69.01 114.54 6.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.616 HD13 HG22 ' A' ' 23' ' ' VAL . 1.1 mp -123.65 115.89 22.19 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 40.03 55.63 2.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 109.596 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 56.93 53.06 8.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.526 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -170.04 106.2 0.33 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.582 1.176 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.756 HG23 HD11 ' A' ' 76' ' ' ILE . 10.0 m -66.69 139.54 20.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.782 ' CE1' HD13 ' A' ' 75' ' ' ILE . 4.7 m-30 -116.57 108.58 16.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 110.992 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -79.63 77.44 6.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.472 HD12 ' HA ' ' A' ' 36' ' ' LEU . 0.6 OUTLIER -92.54 40.15 1.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.122 . . . . 0.0 109.264 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.705 HG23 ' O ' ' A' ' 18' ' ' SER . 60.3 m -59.08 -51.15 71.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.11 . . . . 0.0 110.426 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.35 -40.37 81.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.371 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.568 ' CD2' ' O ' ' A' ' 35' ' ' TYR . 82.1 t80 -90.07 24.4 2.48 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.575 1.172 . . . . 0.0 110.995 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.6 ' C ' HD13 ' A' ' 36' ' ' LEU . 1.5 tm? -80.65 -49.08 11.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.234 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -89.93 -7.95 52.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.222 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -87.09 -23.36 24.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.586 1.179 . . . . 0.0 110.336 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.657 ' CE1' HD21 ' A' ' 46' ' ' LEU . 5.2 t-160 -49.92 126.43 19.36 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.451 1.094 . . . . 0.0 109.585 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.594 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.3 Cg_endo -75.03 -29.81 7.78 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.465 1.771 . . . . 0.0 110.958 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.13 -67.77 1.91 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.535 1.147 . . . . 0.0 110.949 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.07 149.91 11.22 Favored Glycine 0 CA--C 1.531 1.077 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.477 ' HA ' HD12 ' A' ' 46' ' ' LEU . 9.4 pt-20 -87.72 -22.8 24.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 0.797 . . . . 0.0 110.255 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.503 ' O ' ' N ' ' A' ' 48' ' ' GLU . 2.1 mt-10 -81.35 -54.46 5.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.265 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.479 HG22 ' CAC' ' A' ' 95' ' ' HEM . 0.2 OUTLIER -39.98 -29.18 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.657 HD21 ' CE1' ' A' ' 39' ' ' HIS . 1.3 mt -84.53 -60.73 1.98 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.596 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 23.9 mtm105 -58.62 -57.35 13.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 110.344 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 44' ' ' GLU . 23.7 tt0 -32.96 -45.3 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.336 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.448 ' HG3' ' HB2' ' A' ' 54' ' ' ALA . 8.9 pt20 -130.56 49.77 2.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.439 1.087 . . . . 0.0 110.247 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.596 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -70.74 -91.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 109.293 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.42 ' O ' ' HB ' ' A' ' 12' ' ' ILE . . . -40.11 -34.15 0.55 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.456 1.097 . . . . 0.0 110.937 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.42 ' O ' ' O ' ' A' ' 51' ' ' GLY . . . -59.35 -143.67 0.01 OUTLIER Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -126.91 114.3 17.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 0.784 . . . . 0.0 109.252 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.622 ' HB3' HG21 ' A' ' 23' ' ' VAL . . . -115.93 25.28 10.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.7 m -57.9 -62.44 1.81 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.372 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -62.67 -39.32 93.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.59 1.181 . . . . 0.0 110.353 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.626 ' O ' HG13 ' A' ' 61' ' ' VAL . 1.8 m120 -64.42 -22.65 67.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.635 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.3 OUTLIER -88.69 -40.04 13.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 111.034 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -78.4 -35.97 46.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 110.256 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -56.25 -44.68 79.92 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.994 HG11 HMD1 ' A' ' 95' ' ' HEM . 5.9 m -69.23 -17.48 21.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 61.59 83.4 0.07 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.486 1.116 . . . . 0.0 110.958 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.495 ' CE1' ' CG2' ' A' ' 61' ' ' VAL . 38.1 m80 -71.28 140.02 50.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 0.751 . . . . 0.0 109.583 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 38.5 m -85.79 169.94 12.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.422 1.076 . . . . 0.0 109.98 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.478 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.1 m -48.13 -48.01 34.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 110.443 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.1 -38.32 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.2 -46.32 42.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 65' ' ' THR . 3.7 mtt-85 -46.28 -37.07 6.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 110.308 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -71.68 -54.51 10.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.16 . . . . 0.0 110.319 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.528 ' O ' ' N ' ' A' ' 73' ' ' THR . 0.4 OUTLIER -57.57 -62.53 1.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.344 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.601 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 3.2 p -39.31 -55.48 1.71 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 0.0 109.965 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.888 ' O ' HG22 ' A' ' 75' ' ' ILE . 0.3 OUTLIER -59.43 -36.28 75.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.385 1.053 . . . . 0.0 109.265 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.528 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -72.97 -29.79 63.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.383 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.535 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 36.3 m-85 -100.19 37.86 1.59 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 110.98 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.888 HG22 ' O ' ' A' ' 72' ' ' LYS . 8.4 tp -107.83 139.82 28.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.445 1.091 . . . . 0.0 109.305 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.756 HD11 HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -124.57 -33.86 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.09 . . . . 0.0 109.294 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.438 ' N ' HG12 ' A' ' 76' ' ' ILE . . . 170.51 -167.72 40.84 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -117.17 170.02 8.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 0.761 . . . . 0.0 110.228 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.718 ' C ' HD22 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -101.57 148.99 24.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.351 179.931 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.621 ' O ' HD22 ' A' ' 79' ' ' LEU . 0.1 OUTLIER -44.2 117.46 2.82 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.596 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -7.8 19.51 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.497 1.788 . . . . 0.0 111.049 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -80.23 -39.22 29.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.261 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -100.09 28.34 4.95 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.485 1.116 . . . . 0.0 109.348 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.56 -2.84 18.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.259 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.3 m -93.18 46.99 1.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.99 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.644 ' HB3' HD12 ' A' ' 9' ' ' LEU . 0.5 OUTLIER -90.56 23.84 2.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.577 1.173 . . . . 0.0 109.239 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.4 HD12 ' HA ' ' A' ' 87' ' ' ILE . 4.9 tp -79.04 -25.14 12.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.548 1.155 . . . . 0.0 109.375 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.347 179.956 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' HEM . . . . . 0.994 HMD1 HG11 ' A' ' 61' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.551 ' CG1' ' CE1' ' A' ' 6' ' ' TYR . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.416 ' HA ' ' CE ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -111.44 120.76 43.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 0.0 109.241 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.551 ' CE1' ' CG1' ' A' ' 4' ' ' VAL . 29.9 m-85 -100.98 118.94 37.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -107.35 160.08 15.89 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.425 1.078 . . . . 0.0 110.952 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.9 p -90.47 146.33 24.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 110.428 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -51.42 -20.42 1.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -64.2 -34.6 78.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.575 1.172 . . . . 0.0 110.32 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.485 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.1 OUTLIER -60.09 -75.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 110.342 179.928 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.51 ' H ' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -34.28 -44.61 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.42 1.075 . . . . 0.0 109.242 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -54.6 -63.49 1.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.108 . . . . 0.0 110.27 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.3 ptpm? -63.01 -24.37 67.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.273 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.423 ' C ' ' O ' ' A' ' 20' ' ' SER . 57.1 m-70 -94.62 44.38 1.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 109.643 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.83 28.92 8.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -129.4 169.81 14.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.688 ' O ' HG23 ' A' ' 33' ' ' THR . 1.0 OUTLIER -55.19 -49.53 71.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.477 1.11 . . . . 0.0 110.04 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.72 ' O ' HG21 ' A' ' 33' ' ' THR . 5.4 ttmt -42.63 -54.51 3.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 15' ' ' HIS . 4.7 m -133.1 90.39 2.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.013 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.734 HG21 HD23 ' A' ' 36' ' ' LEU . 1.6 m -96.39 111.38 23.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.427 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.402 ' O ' ' C ' ' A' ' 50' ' ' ALA . 10.6 m0 -118.75 159.45 23.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 1.128 . . . . 0.0 108.039 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.616 ' CG2' ' HB3' ' A' ' 54' ' ' ALA . 8.2 p -154.98 121.72 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.49 HG13 HG21 ' A' ' 12' ' ' ILE . 24.3 mt -70.92 110.54 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.62 HD22 ' CD2' ' A' ' 30' ' ' TYR . 1.1 mp -118.49 124.93 48.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.525 ' CE1' ' HB3' ' A' ' 25' ' ' LEU . 0.0 OUTLIER 39.67 43.83 1.17 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 109.565 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.493 ' CD2' ' HD3' ' A' ' 84' ' ' ARG . 1.4 m80 67.04 49.61 1.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 109.559 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.494 ' HG2' ' CB ' ' A' ' 78' ' ' GLU . 4.2 mtmm -166.03 115.71 0.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.31 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.867 HG23 HD11 ' A' ' 76' ' ' ILE . 11.3 m -69.19 141.05 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.098 . . . . 0.0 109.258 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.62 ' CD2' HD22 ' A' ' 25' ' ' LEU . 3.3 m-30 -117.87 107.58 14.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 111.031 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -76.49 82.61 3.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.319 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.514 HD22 ' HAB' ' A' ' 95' ' ' HEM . 0.9 OUTLIER -101.38 36.49 2.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.28 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.72 HG21 ' O ' ' A' ' 19' ' ' LYS . 16.4 m -60.0 -42.5 94.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 110.385 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.5 ttmm -74.11 -40.73 62.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.314 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.544 ' HB2' ' CZ ' ' A' ' 74' ' ' TYR . 91.9 t80 -89.97 17.59 6.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.62 1.2 . . . . 0.0 110.972 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.734 HD23 HG21 ' A' ' 21' ' ' THR . 1.8 tm? -71.86 -48.31 46.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.36 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -90.0 -7.58 53.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.321 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -86.76 -23.87 25.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.23 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.679 ' CE1' HD21 ' A' ' 46' ' ' LEU . 5.0 t-160 -49.93 126.48 19.44 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 0.0 109.62 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.591 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.2 Cg_endo -75.01 -28.3 9.26 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.507 1.793 . . . . 0.0 110.948 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.48 -68.76 1.55 Allowed Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.456 1.097 . . . . 0.0 110.986 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.05 148.34 9.94 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.47 ' HA ' HD12 ' A' ' 46' ' ' LEU . 0.4 OUTLIER -85.58 -17.77 35.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.547 0.792 . . . . 0.0 110.302 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' A' ' 48' ' ' GLU . 5.4 tt0 -86.09 -53.8 4.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.367 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.452 HG22 ' CAC' ' A' ' 95' ' ' HEM . 0.2 OUTLIER -40.28 -28.9 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.679 HD21 ' CE1' ' A' ' 39' ' ' HIS . 0.8 OUTLIER -85.1 -61.81 1.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.268 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.503 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 24.0 mtm180 -56.12 -57.13 13.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 110.288 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 44' ' ' GLU . 2.9 tp10 -34.67 -44.66 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 110.254 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.503 ' HG3' ' HB2' ' A' ' 54' ' ' ALA . 5.1 pt20 -131.47 54.04 1.95 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.429 1.081 . . . . 0.0 110.294 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.503 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -77.39 -90.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.276 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.405 ' O ' ' HB ' ' A' ' 12' ' ' ILE . . . -40.18 -33.71 0.52 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.465 1.103 . . . . 0.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.49 -138.83 0.01 OUTLIER Glycine 0 CA--C 1.529 0.932 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -132.36 113.83 13.65 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.423 0.72 . . . . 0.0 109.339 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.616 ' HB3' ' CG2' ' A' ' 23' ' ' VAL . . . -115.17 24.59 11.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.42 1.075 . . . . 0.0 109.291 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.6 m -54.71 -61.4 2.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.435 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -63.9 -40.71 97.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.256 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.555 ' O ' HG13 ' A' ' 61' ' ' VAL . 17.1 m-80 -63.86 -17.91 63.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.637 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.4 OUTLIER -94.86 -40.02 9.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 110.965 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -78.65 -36.37 43.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 1.102 . . . . 0.0 110.256 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -57.37 -44.01 84.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.965 HG11 HMD1 ' A' ' 95' ' ' HEM . 6.1 m -69.01 -16.3 20.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 59.03 84.97 0.04 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.481 1.113 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.473 ' CE1' ' CG2' ' A' ' 61' ' ' VAL . 29.3 m80 -70.15 139.98 52.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 0.777 . . . . 0.0 109.542 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 m -82.15 169.95 16.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.955 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -50.74 -46.57 59.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.408 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -41.62 -38.64 1.42 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.435 1.085 . . . . 0.0 109.244 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.68 -46.65 62.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.448 1.093 . . . . 0.0 109.325 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 65' ' ' THR . 0.0 OUTLIER -42.4 -42.96 3.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.443 1.089 . . . . 0.0 110.323 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.88 -53.89 23.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.422 1.076 . . . . 0.0 110.289 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.48 ' O ' ' C ' ' A' ' 71' ' ' SER . 1.2 mp -56.94 -65.37 0.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.348 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.618 ' HB3' ' CE2' ' A' ' 30' ' ' TYR . 53.3 m -32.36 -58.97 0.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.004 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.416 ' O ' HG22 ' A' ' 75' ' ' ILE . 0.7 OUTLIER -56.86 -50.78 71.41 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 0.0 109.342 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.475 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -56.9 -32.99 66.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.392 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.544 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 50.2 m-85 -99.47 40.65 1.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.157 . . . . 0.0 111.001 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.416 HD11 ' HD2' ' A' ' 28' ' ' LYS . 3.2 tt -115.43 139.92 39.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.365 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.867 HD11 HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -121.25 -38.26 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.32 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.457 ' N ' HG12 ' A' ' 76' ' ' ILE . . . 176.64 -162.82 31.53 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.461 1.101 . . . . 0.0 110.93 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.494 ' CB ' ' HG2' ' A' ' 28' ' ' LYS . 6.1 pt-20 -119.73 162.44 19.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.437 0.728 . . . . 0.0 110.406 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 1.087 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -94.83 144.22 25.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.533 ' N ' HD22 ' A' ' 79' ' ' LEU . 0.4 OUTLIER -39.04 118.57 1.13 Allowed Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.117 . . . . 0.0 109.616 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.456 ' O ' ' NE ' ' A' ' 84' ' ' ARG . 18.2 Cg_endo -75.02 -16.58 20.09 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.518 1.799 . . . . 0.0 110.931 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -80.08 -33.82 38.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 109.366 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -99.78 17.33 20.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.493 ' HD3' ' CD2' ' A' ' 27' ' ' HIS . 0.1 OUTLIER -77.34 -24.31 50.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.288 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -109.98 36.61 2.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.404 1.065 . . . . 0.0 109.977 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.4 tptp -98.13 38.61 1.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.411 HD12 ' HA ' ' A' ' 87' ' ' ILE . 2.9 tp -93.25 -45.28 13.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.268 -179.971 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' HEM . . . . . 0.965 HMD1 HG11 ' A' ' 61' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.423 ' CG1' ' CE1' ' A' ' 6' ' ' TYR . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.575 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -111.86 122.46 47.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.54 1.15 . . . . 0.0 109.291 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.423 ' CE1' ' CG1' ' A' ' 4' ' ' VAL . 30.5 m-85 -100.92 104.93 16.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 111.026 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.575 ' CE1' ' HB3' ' A' ' 5' ' ' LYS . 14.5 m-85 -91.36 149.67 21.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.574 1.171 . . . . 0.0 111.008 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.409 ' C ' ' N ' ' A' ' 10' ' ' GLU . 1.2 p -79.78 142.22 35.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.376 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.415 ' O ' HG12 ' A' ' 12' ' ' ILE . 1.3 pt? -50.07 -20.35 0.95 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.226 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.409 ' N ' ' C ' ' A' ' 8' ' ' THR . 0.8 OUTLIER -62.07 -30.93 71.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.308 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.52 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -66.18 -75.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 110.313 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.52 ' C ' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -31.56 -42.37 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.334 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 11' ' ' GLU . 2.8 mm-40 -57.71 -73.66 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.332 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.43 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 1.8 ptpm? -48.56 -23.24 0.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.224 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.402 ' N ' ' C ' ' A' ' 13' ' ' GLN . 58.6 m-70 -92.23 49.99 1.58 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 109.53 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.5 mtmt -110.17 26.91 10.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 109.251 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -132.19 166.28 22.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.642 ' O ' HG23 ' A' ' 33' ' ' THR . 0.2 OUTLIER -54.7 -47.24 73.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 110.043 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.6 ' O ' HG21 ' A' ' 33' ' ' THR . 0.3 OUTLIER -40.07 -51.86 2.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.3 m -140.07 98.26 3.41 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.581 1.176 . . . . 0.0 109.968 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.581 HG21 ' CD2' ' A' ' 36' ' ' LEU . 0.4 OUTLIER -104.19 109.96 21.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.36 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.476 ' CD1' ' HA ' ' A' ' 31' ' ' ASP . 8.6 m0 -113.01 158.42 20.3 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.524 1.14 . . . . 0.0 107.943 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.52 ' CG2' ' HB3' ' A' ' 54' ' ' ALA . 10.6 p -155.13 121.2 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 0.0 109.339 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.444 HG13 HG21 ' A' ' 12' ' ' ILE . 39.3 mt -70.18 110.42 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.579 HD22 ' CD2' ' A' ' 30' ' ' TYR . 0.9 OUTLIER -119.45 119.24 33.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.387 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.46 ' NE2' ' CD ' ' A' ' 59' ' ' GLU . 16.9 m80 39.81 55.91 2.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.611 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.6 m170 54.76 51.15 14.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.61 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.439 ' HD2' HD11 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -167.65 101.71 0.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.781 HG23 HD11 ' A' ' 76' ' ' ILE . 5.5 m -60.96 141.46 17.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.849 ' CE1' HD13 ' A' ' 75' ' ' ILE . 3.7 m-30 -116.84 104.46 11.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 111.029 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.476 ' HA ' ' CD1' ' A' ' 22' ' ' TRP . 48.0 t0 -72.96 71.05 1.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.418 HD23 HG12 ' A' ' 23' ' ' VAL . 0.7 OUTLIER -89.45 42.83 1.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.271 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.642 HG23 ' O ' ' A' ' 18' ' ' SER . 65.5 m -64.5 -54.13 37.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.353 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.98 -39.57 95.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.532 ' HB2' ' CZ ' ' A' ' 74' ' ' TYR . 88.6 t80 -90.05 17.47 6.88 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.491 1.119 . . . . 0.0 111.033 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.584 ' C ' HD13 ' A' ' 36' ' ' LEU . 2.6 tm? -72.32 -50.03 30.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -89.46 -8.21 53.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.281 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -85.67 -24.25 27.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 110.266 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.659 ' CE1' HD21 ' A' ' 46' ' ' LEU . 5.4 t-160 -49.8 126.15 18.28 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.481 1.113 . . . . 0.0 109.656 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.592 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.5 Cg_endo -75.02 -30.45 7.12 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.492 1.785 . . . . 0.0 111.001 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.67 -66.77 2.32 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.523 1.139 . . . . 0.0 110.949 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.07 153.89 18.04 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.428 ' HA ' HD12 ' A' ' 46' ' ' LEU . 15.2 pt-20 -90.47 -25.7 20.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 0.734 . . . . 0.0 110.283 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' A' ' 48' ' ' GLU . 10.5 tt0 -79.49 -52.82 7.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.323 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.486 HG22 ' CAC' ' A' ' 95' ' ' HEM . 0.2 OUTLIER -39.94 -29.49 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.264 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.659 HD21 ' CE1' ' A' ' 39' ' ' HIS . 0.6 OUTLIER -87.17 -52.86 5.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 109.36 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.599 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 1.7 mtp85 -62.63 -60.01 4.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 44' ' ' GLU . 0.3 OUTLIER -34.08 -44.57 0.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.429 1.08 . . . . 0.0 110.285 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.428 ' OE1' ' ND2' ' A' ' 57' ' ' ASN . 11.8 pt20 -128.83 48.74 2.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 0.0 110.29 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.599 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -73.01 -91.16 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.422 ' CA ' ' HB ' ' A' ' 12' ' ' ILE . . . -42.23 -32.41 1.11 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.5 -137.24 0.01 OUTLIER Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -135.09 114.95 12.91 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.499 0.764 . . . . 0.0 109.268 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.52 ' HB3' ' CG2' ' A' ' 23' ' ' VAL . . . -113.95 26.14 10.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.258 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.411 ' O ' ' HB3' ' A' ' 58' ' ' PHE . 28.8 m -50.04 -72.06 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.396 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.491 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 9.9 mt-10 -60.76 -36.49 79.08 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.568 1.168 . . . . 0.0 110.285 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.428 ' ND2' ' OE1' ' A' ' 49' ' ' GLN . 2.8 m120 -65.97 -16.19 63.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.804 ' CD1' ' CE1' ' A' ' 63' ' ' HIS . 71.5 t80 -99.38 -40.05 8.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.994 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.46 ' CD ' ' NE2' ' A' ' 26' ' ' HIS . 2.6 mm-40 -80.98 -30.42 35.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.368 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.491 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 40.3 t0 -58.87 -44.15 91.04 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 1.041 HG11 HMD1 ' A' ' 95' ' ' HEM . 5.7 m -69.12 -15.26 19.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 59.62 84.18 0.05 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.454 1.096 . . . . 0.0 111.02 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.804 ' CE1' ' CD1' ' A' ' 58' ' ' PHE . 35.7 m80 -70.75 140.17 51.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 0.768 . . . . 0.0 109.573 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 68.1 m -82.2 169.94 16.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.103 . . . . 0.0 109.94 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.466 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -50.07 -47.37 53.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 110.404 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 65' ' ' THR . 0.5 OUTLIER -40.4 -41.4 1.38 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.97 -46.92 66.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 65' ' ' THR . 43.4 ttt85 -42.95 -40.22 2.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.345 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.7 -49.96 48.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.582 1.176 . . . . 0.0 110.347 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.504 ' O ' ' N ' ' A' ' 73' ' ' THR . 0.4 OUTLIER -60.58 -65.03 0.75 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.397 1.061 . . . . 0.0 109.287 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.59 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 2.3 p -37.19 -54.82 1.01 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.033 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.872 ' O ' HG22 ' A' ' 75' ' ' ILE . 10.6 tptt -60.3 -42.36 95.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.347 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.504 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -66.34 -30.11 70.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.615 1.197 . . . . 0.0 110.356 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.532 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 36.8 m-85 -100.11 38.4 1.49 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 111.062 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.872 HG22 ' O ' ' A' ' 72' ' ' LYS . 8.0 tp -108.45 139.85 29.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.222 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.781 HD11 HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -126.82 -34.98 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.446 1.091 . . . . 0.0 109.354 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.442 ' N ' HG12 ' A' ' 76' ' ' ILE . . . 167.85 -162.97 36.77 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.581 1.176 . . . . 0.0 111.032 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -121.06 170.0 9.95 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.558 0.799 . . . . 0.0 110.264 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.767 ' C ' HD22 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -108.55 151.1 26.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -179.927 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.58 ' CD2' ' HB2' ' A' ' 82' ' ' ASP . 4.3 t-160 -38.42 103.12 0.26 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.664 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.425 ' HA ' ' HG3' ' A' ' 84' ' ' ARG . 18.3 Cg_endo -74.94 -0.69 10.25 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.469 1.773 . . . . 0.0 110.961 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.58 ' HB2' ' CD2' ' A' ' 80' ' ' HIS . 6.4 t0 -79.4 -33.95 42.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.554 1.159 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -98.64 2.75 47.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.425 ' HG3' ' HA ' ' A' ' 81' ' ' PRO . 0.0 OUTLIER -60.71 -14.97 24.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.541 1.151 . . . . 0.0 110.298 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.7 t -85.36 -36.81 20.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.962 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.0 mttp -91.1 16.83 8.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.164 . . . . 0.0 109.327 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -76.25 -38.26 33.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.348 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 -179.991 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' HEM . . . . . 1.041 HMD1 HG11 ' A' ' 61' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.494 ' CG1' ' CE1' ' A' ' 6' ' ' TYR . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.501 ' HA ' ' CE ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -115.4 121.43 42.75 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.495 1.122 . . . . 0.0 109.231 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.494 ' CE1' ' CG1' ' A' ' 4' ' ' VAL . 33.0 m-85 -100.79 118.67 37.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 111.026 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -109.24 152.29 25.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.943 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.4 p -80.64 151.46 28.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.352 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.71 -16.89 12.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.464 1.103 . . . . 0.0 109.323 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -68.27 -36.14 78.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.355 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.486 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -57.77 -74.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 110.292 179.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.486 ' C ' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -33.78 -46.87 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -53.17 -69.14 0.12 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.438 1.086 . . . . 0.0 110.295 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.41 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 0.9 OUTLIER -56.23 -18.8 11.43 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.445 1.091 . . . . 0.0 109.326 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.407 ' NE2' ' HG3' ' A' ' 11' ' ' GLU . 75.3 m-70 -99.56 43.39 1.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.536 1.148 . . . . 0.0 109.597 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.446 ' HG3' ' HB3' ' A' ' 50' ' ' ALA . 8.4 ttpp -109.6 29.26 7.75 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.469 1.106 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -126.83 161.19 28.82 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.595 ' O ' HG23 ' A' ' 33' ' ' THR . 14.1 m -49.63 -48.02 49.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.54 1.15 . . . . 0.0 109.956 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.708 ' O ' HG21 ' A' ' 33' ' ' THR . 0.0 OUTLIER -40.96 -54.43 2.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 23.5 m -139.96 98.22 3.41 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.565 1.166 . . . . 0.0 109.932 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.1 m -103.3 112.66 25.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.379 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.422 ' O ' ' C ' ' A' ' 50' ' ' ALA . 13.3 m0 -110.72 163.55 13.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 108.023 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.725 ' CG2' ' HB3' ' A' ' 54' ' ' ALA . 5.4 p -159.71 115.27 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.406 HD12 ' O ' ' A' ' 52' ' ' GLY . 7.8 mt -65.34 110.95 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.355 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.678 HD13 HG22 ' A' ' 23' ' ' VAL . 1.1 mp -117.58 118.65 32.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.468 ' CE1' ' HB3' ' A' ' 25' ' ' LEU . 0.1 OUTLIER 39.7 53.83 2.5 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.54 1.15 . . . . 0.0 109.58 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.488 ' O ' ' CG ' ' A' ' 28' ' ' LYS . 1.3 m-70 59.46 51.83 6.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.64 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.617 ' HD2' HD11 ' A' ' 75' ' ' ILE . 1.9 mtmm -169.4 109.22 0.44 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.086 . . . . 0.0 109.253 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.803 HG23 HD11 ' A' ' 76' ' ' ILE . 10.1 m -68.88 140.48 18.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.608 ' CD2' HD22 ' A' ' 25' ' ' LEU . 4.3 m-30 -116.92 108.74 16.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.995 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -76.79 70.62 3.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.449 HD22 ' HAB' ' A' ' 95' ' ' HEM . 0.6 OUTLIER -89.78 42.66 1.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.708 HG21 ' O ' ' A' ' 19' ' ' LYS . 97.7 m -62.95 -53.0 60.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.16 . . . . 0.0 110.454 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -39.8 93.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.528 ' HB2' ' CZ ' ' A' ' 74' ' ' TYR . 86.7 t80 -89.62 18.49 5.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.617 ' C ' HD13 ' A' ' 36' ' ' LEU . 2.5 tm? -73.92 -49.71 23.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.93 -8.29 52.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.326 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -86.07 -22.48 27.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.257 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.626 ' CE1' HD21 ' A' ' 46' ' ' LEU . 5.4 t-160 -49.85 126.25 18.69 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.596 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.594 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.0 Cg_endo -75.08 -30.07 7.44 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.595 1.839 . . . . 0.0 110.916 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.07 -68.11 1.78 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.439 1.087 . . . . 0.0 110.966 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.03 147.8 9.58 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.951 -0.86 . . . . 0.0 110.951 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.525 ' HA ' HD12 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -85.54 -25.94 26.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 0.745 . . . . 0.0 110.33 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 48' ' ' GLU . 6.5 mm-40 -77.17 -54.67 6.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 110.298 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.583 HG22 ' CAC' ' A' ' 95' ' ' HEM . 0.2 OUTLIER -39.97 -29.24 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.348 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.641 HD23 ' C2C' ' A' ' 95' ' ' HEM . 1.2 mt -84.79 -65.84 0.96 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.577 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -53.51 -54.92 30.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 110.284 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 44' ' ' GLU . 50.1 tt0 -35.8 -44.84 0.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.417 1.073 . . . . 0.0 110.269 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.432 ' HG3' ' HB2' ' A' ' 54' ' ' ALA . 14.7 pt20 -131.49 49.03 2.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 110.261 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.577 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -70.9 -93.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.353 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.433 ' CA ' ' HB ' ' A' ' 12' ' ' ILE . . . -39.16 -34.05 0.31 Allowed Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.571 1.17 . . . . 0.0 111.043 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 51' ' ' GLY . . . -59.64 -140.55 0.01 OUTLIER Glycine 0 CA--C 1.531 1.041 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -129.36 111.37 12.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.581 0.813 . . . . 0.0 109.274 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.725 ' HB3' ' CG2' ' A' ' 23' ' ' VAL . . . -113.57 25.38 11.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.8 m -57.14 -60.16 4.02 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.425 1.078 . . . . 0.0 110.422 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -63.33 -44.51 94.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.329 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.615 ' O ' HG13 ' A' ' 61' ' ' VAL . 1.6 m-80 -59.95 -19.9 54.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.643 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.4 OUTLIER -93.15 -39.8 10.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.139 . . . . 0.0 111.005 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -77.86 -37.59 47.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 110.273 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -56.88 -43.63 81.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 1.005 HG11 HMD1 ' A' ' 95' ' ' HEM . 5.4 m -69.92 -16.8 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 58.92 85.4 0.04 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.514 1.134 . . . . 0.0 110.977 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.418 ' CE1' ' CG2' ' A' ' 61' ' ' VAL . 30.7 m80 -70.05 139.82 52.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 0.75 . . . . 0.0 109.644 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.2 p -83.29 168.96 16.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.059 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -50.38 -42.09 52.88 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 0.0 110.406 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -45.25 -40.34 7.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.317 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.63 -47.89 68.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.7 mmt-85 -48.46 -24.69 1.35 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 110.343 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -76.23 -55.45 5.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.284 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.527 ' N ' HD13 ' A' ' 70' ' ' LEU . 0.1 OUTLIER -66.35 -61.33 2.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.247 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.575 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 0.1 OUTLIER -31.75 -55.9 0.28 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.436 1.085 . . . . 0.0 110.026 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.651 ' O ' HG22 ' A' ' 75' ' ' ILE . 0.5 OUTLIER -58.46 -53.18 61.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.293 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.475 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.7 OUTLIER -57.63 -29.33 64.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.399 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.528 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 45.7 m-85 -99.85 39.04 1.36 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.557 1.161 . . . . 0.0 110.961 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.651 HG22 ' O ' ' A' ' 72' ' ' LYS . 7.3 tt -114.61 140.09 37.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.803 HD11 HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -123.75 -38.3 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.462 ' N ' HG12 ' A' ' 76' ' ' ILE . . . 176.15 -166.53 37.68 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.543 1.152 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -116.1 167.28 11.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 0.745 . . . . 0.0 110.279 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 1.103 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -99.07 141.4 31.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 0.0 109.216 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.548 ' N ' HD22 ' A' ' 79' ' ' LEU . 0.8 OUTLIER -38.75 112.83 0.72 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.638 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -0.31 9.83 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.491 1.785 . . . . 0.0 110.973 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -79.04 -43.22 24.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.361 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -93.77 -13.63 27.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.357 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.666 ' HG3' HD11 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -59.98 -36.62 77.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 8.3 t -89.78 11.39 20.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.117 . . . . 0.0 109.947 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.24 26.17 6.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.59 HD13 ' O ' ' A' ' 84' ' ' ARG . 1.8 mp -99.71 -59.03 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 109.33 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.077 . . . . 0.0 109.394 179.935 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' HEM . . . . . 1.005 HMD1 HG11 ' A' ' 61' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.476 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 8.7 mmmm -115.0 123.34 48.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 34.2 m-85 -100.74 116.18 32.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 111.012 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.476 ' CE1' ' HB3' ' A' ' 5' ' ' LYS . 6.3 m-85 -107.2 138.17 43.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 111.009 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 11.1 p -69.57 157.31 37.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.571 1.169 . . . . 0.0 110.36 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.511 ' HA ' HD11 ' A' ' 12' ' ' ILE . 1.3 pt? -58.55 -15.26 10.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.286 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.445 ' N ' HD23 ' A' ' 9' ' ' LEU . 0.5 OUTLIER -68.62 -39.81 80.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.327 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.54 ' CG ' ' NE2' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -54.93 -73.38 0.05 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.328 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.511 ' C ' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -30.71 -57.22 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -42.54 -57.7 2.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 110.339 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 11' ' ' GLU . 46.2 mmtt -52.17 -44.31 64.56 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.507 1.13 . . . . 0.0 109.259 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.54 ' NE2' ' CG ' ' A' ' 11' ' ' GLU . 3.6 m-70 -79.34 59.09 2.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.087 . . . . 0.0 109.595 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -110.1 15.77 22.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -122.93 169.09 11.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.758 ' O ' HG23 ' A' ' 33' ' ' THR . 0.9 OUTLIER -58.75 -44.95 90.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.023 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.683 ' O ' HG21 ' A' ' 33' ' ' THR . 18.2 mttm -45.31 -45.39 12.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.6 m -139.96 100.1 3.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.971 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.417 HG21 HD23 ' A' ' 36' ' ' LEU . 1.5 m -109.27 110.0 21.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.39 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.421 ' CZ3' ' CD2' ' A' ' 7' ' ' TYR . 8.2 m0 -115.12 159.66 20.61 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.566 1.166 . . . . 0.0 107.995 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.662 HG22 HD13 ' A' ' 25' ' ' LEU . 3.9 p -158.64 120.67 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.325 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.521 HD12 ' O ' ' A' ' 52' ' ' GLY . 6.1 mt -69.38 115.4 8.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.662 HD13 HG22 ' A' ' 23' ' ' VAL . 1.7 mp -122.27 115.21 21.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.364 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.563 ' O ' ' CG ' ' A' ' 27' ' ' HIS . 14.3 p-80 39.2 60.53 1.48 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 1.167 . . . . 0.0 109.569 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.563 ' CG ' ' O ' ' A' ' 26' ' ' HIS . 32.6 p-80 52.98 51.7 15.32 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.624 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.538 ' CE ' HD11 ' A' ' 75' ' ' ILE . 1.1 mttp -169.41 100.62 0.34 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.802 HG23 HD11 ' A' ' 76' ' ' ILE . 5.7 m -63.95 141.99 17.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.658 ' CD2' HD22 ' A' ' 25' ' ' LEU . 4.5 m-30 -117.68 107.68 14.5 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.501 1.126 . . . . 0.0 110.965 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.403 ' HA ' ' CD1' ' A' ' 22' ' ' TRP . 10.9 t0 -76.95 79.11 3.5 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.438 HD22 ' HAB' ' A' ' 95' ' ' HEM . 0.6 OUTLIER -98.68 54.22 1.03 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.43 1.081 . . . . 0.0 109.321 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.758 HG23 ' O ' ' A' ' 18' ' ' SER . 89.6 m -74.9 -45.57 41.79 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 110.433 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.14 -37.69 69.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.536 ' HB2' ' CZ ' ' A' ' 74' ' ' TYR . 91.7 t80 -88.91 14.93 9.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.529 HD21 ' HG3' ' A' ' 47' ' ' ARG . 1.7 tm? -69.91 -48.72 57.52 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.68 -7.96 53.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 110.335 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.33 -24.79 25.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 110.325 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.711 ' CE1' HD21 ' A' ' 46' ' ' LEU . 5.9 t-160 -50.25 125.19 19.11 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.567 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.55 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.5 Cg_endo -74.95 -28.33 9.36 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.474 1.776 . . . . 0.0 111.035 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.97 -68.61 1.6 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.511 1.132 . . . . 0.0 111.032 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.1 144.28 7.48 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.408 ' HA ' HD12 ' A' ' 46' ' ' LEU . 0.2 OUTLIER -83.77 -9.59 58.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 0.746 . . . . 0.0 110.303 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.479 ' O ' ' N ' ' A' ' 48' ' ' GLU . 0.5 OUTLIER -94.8 -54.04 3.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 110.319 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.497 HG22 ' CAC' ' A' ' 95' ' ' HEM . 0.2 OUTLIER -39.97 -29.14 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.288 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.711 HD21 ' CE1' ' A' ' 39' ' ' HIS . 0.7 OUTLIER -82.95 -64.16 1.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 109.327 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.643 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 10.6 mtm180 -54.67 -55.37 30.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.479 ' N ' ' O ' ' A' ' 44' ' ' GLU . 4.9 tt0 -34.05 -41.1 0.1 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 110.261 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -136.24 46.59 2.27 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.54 1.15 . . . . 0.0 110.315 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.643 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -67.31 -93.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.423 ' CA ' ' HB ' ' A' ' 12' ' ' ILE . . . -40.04 -30.65 0.26 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.545 1.153 . . . . 0.0 111.018 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.521 ' O ' HD12 ' A' ' 24' ' ' ILE . . . -60.35 -138.18 0.01 OUTLIER Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -134.29 110.86 9.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 0.791 . . . . 0.0 109.271 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.517 ' HB3' HG21 ' A' ' 23' ' ' VAL . . . -114.05 21.18 15.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.8 m -50.26 -58.61 5.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.419 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.521 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 5.7 mt-10 -69.46 -41.92 75.59 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.494 1.122 . . . . 0.0 110.264 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -64.31 -12.0 37.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.784 ' CD1' ' CE1' ' A' ' 63' ' ' HIS . 68.9 t80 -99.08 -49.33 4.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.988 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.415 ' HG3' ' N ' ' A' ' 60' ' ' ASP . 1.0 OUTLIER -75.86 -27.97 58.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.309 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.521 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 14.1 t0 -59.37 -46.13 89.5 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 1.008 HG11 HMD1 ' A' ' 95' ' ' HEM . 8.0 m -66.01 -18.17 23.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 66.53 84.4 0.09 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.461 1.1 . . . . 0.0 110.925 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.784 ' CE1' ' CD1' ' A' ' 58' ' ' PHE . 36.6 m80 -72.82 140.08 47.42 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 0.756 . . . . 0.0 109.554 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.56 169.75 14.1 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.528 1.142 . . . . 0.0 109.993 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 68' ' ' ARG . 0.9 OUTLIER -49.49 -45.19 46.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.339 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -42.05 -37.95 1.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.346 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -73.12 -45.71 55.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.232 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 65' ' ' THR . 1.0 OUTLIER -48.44 -25.83 1.83 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.09 . . . . 0.0 110.309 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.43 -52.89 7.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.327 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.492 ' O ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -64.52 -62.75 1.4 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.358 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.587 ' HB3' ' CE2' ' A' ' 30' ' ' TYR . 34.3 m -32.07 -54.5 0.3 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.947 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.679 ' O ' HG22 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -59.96 -53.91 52.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.152 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.46 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.7 OUTLIER -56.32 -29.6 61.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.355 -179.928 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.536 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 45.9 m-85 -100.12 37.21 1.69 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.092 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.679 HG22 ' O ' ' A' ' 72' ' ' LYS . 7.1 tt -112.62 140.58 31.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.336 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.802 HD11 HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -124.12 -38.38 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.459 ' N ' HG12 ' A' ' 76' ' ' ILE . . . 179.83 -157.67 20.7 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.484 1.115 . . . . 0.0 111.012 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.409 ' HA ' ' HA ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -125.29 160.3 29.62 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 0.769 . . . . 0.0 110.351 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 1.023 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -83.22 144.22 29.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.074 . . . . 0.0 109.272 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.611 ' CD2' ' HB3' ' A' ' 82' ' ' ASP . 4.7 t60 -37.39 117.78 0.82 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.6 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -13.18 21.43 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.562 1.822 . . . . 0.0 110.991 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.611 ' HB3' ' CD2' ' A' ' 80' ' ' HIS . 16.0 t0 -80.12 -27.84 39.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.58 1.175 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.519 ' OD2' ' CD2' ' A' ' 79' ' ' LEU . 0.3 OUTLIER -91.7 -30.55 16.23 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.446 1.091 . . . . 0.0 109.272 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.782 ' HG3' HD11 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -60.09 -26.86 66.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.586 1.178 . . . . 0.0 110.329 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.0 m -103.36 43.38 1.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 0.0 110.11 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -99.72 36.33 1.82 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -96.55 -52.66 9.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 179.984 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' HEM . . . . . 1.008 HMD1 HG11 ' A' ' 61' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.42 ' CG1' ' CE1' ' A' ' 6' ' ' TYR . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.464 ' HA ' ' CE ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -110.85 120.02 41.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.588 1.18 . . . . 0.0 109.28 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.42 ' CE1' ' CG1' ' A' ' 4' ' ' VAL . 29.4 m-85 -100.98 117.5 35.15 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.465 1.103 . . . . 0.0 111.022 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.456 ' CE1' ' HG3' ' A' ' 5' ' ' LYS . 13.7 m-85 -107.84 150.2 27.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.389 1.055 . . . . 0.0 111.041 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.409 ' C ' ' N ' ' A' ' 10' ' ' GLU . 2.2 p -84.75 146.93 27.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.395 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -49.38 -21.63 0.94 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.409 ' N ' ' C ' ' A' ' 8' ' ' THR . 3.0 mt-10 -61.93 -29.7 70.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 110.269 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.469 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -67.32 -75.05 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.296 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.511 ' H ' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -35.28 -41.59 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -57.21 -77.65 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.416 ' HE3' ' NE2' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -50.29 -24.33 2.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 109.373 179.909 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.455 ' CD2' ' HG2' ' A' ' 11' ' ' GLU . 69.9 m-70 -94.22 44.53 1.12 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.603 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.464 ' HG3' ' HB3' ' A' ' 50' ' ' ALA . 15.8 ttpt -110.18 22.41 15.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.446 1.091 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -118.4 169.38 9.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.613 ' O ' HG23 ' A' ' 33' ' ' THR . 0.2 OUTLIER -56.58 -44.96 81.55 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.521 1.138 . . . . 0.0 110.003 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.662 ' O ' HG21 ' A' ' 33' ' ' THR . 0.0 OUTLIER -45.56 -51.94 11.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.5 m -135.44 96.33 3.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.049 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.702 HG21 HD23 ' A' ' 36' ' ' LEU . 1.4 m -98.45 109.87 22.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.438 1.086 . . . . 0.0 110.402 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.44 ' CD1' ' HA ' ' A' ' 31' ' ' ASP . 12.7 m0 -118.16 157.03 27.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.158 . . . . 0.0 108.009 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.67 HG22 HD13 ' A' ' 25' ' ' LEU . 3.4 p -156.04 125.25 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.587 ' O ' HD12 ' A' ' 25' ' ' LEU . 59.9 mt -68.34 116.34 8.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.67 HD13 HG22 ' A' ' 23' ' ' VAL . 2.4 mp -129.77 137.16 50.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 109.365 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.435 ' C ' ' O ' ' A' ' 25' ' ' LEU . 18.1 m80 37.64 36.32 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.587 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 70.0 48.2 0.55 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.598 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.552 ' CG ' ' O ' ' A' ' 25' ' ' LEU . 5.3 ptpp? -170.18 127.17 0.83 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.814 HG23 HD11 ' A' ' 76' ' ' ILE . 15.1 m -67.48 146.71 12.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.628 ' CD2' HD22 ' A' ' 25' ' ' LEU . 2.0 m-30 -120.26 96.85 5.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.962 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.44 ' HA ' ' CD1' ' A' ' 22' ' ' TRP . 22.5 t0 -64.73 78.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.439 HD23 ' O ' ' A' ' 30' ' ' TYR . 0.5 OUTLIER -102.33 41.68 1.21 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 109.329 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.662 HG21 ' O ' ' A' ' 19' ' ' LYS . 88.7 m -66.06 -46.87 76.24 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.479 1.112 . . . . 0.0 110.366 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.05 -43.05 79.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.565 ' HB2' ' CZ ' ' A' ' 74' ' ' TYR . 93.5 t80 -89.99 24.82 2.3 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 111.034 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.702 HD23 HG21 ' A' ' 21' ' ' THR . 1.3 tm? -76.68 -47.49 21.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -90.12 -11.66 40.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.289 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -82.08 -22.25 36.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.333 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.764 ' CE1' HD21 ' A' ' 46' ' ' LEU . 4.7 t-160 -49.94 126.57 19.65 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 0.0 109.601 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.583 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.4 Cg_endo -75.01 -29.58 8.05 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.532 1.806 . . . . 0.0 110.985 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.29 -67.01 2.15 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.545 1.153 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.06 144.18 7.43 Favored Glycine 0 CA--C 1.531 1.057 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.437 ' HA ' HD12 ' A' ' 46' ' ' LEU . 0.3 OUTLIER -84.53 -11.14 56.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.583 0.813 . . . . 0.0 110.294 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.474 ' O ' ' N ' ' A' ' 48' ' ' GLU . 1.0 OUTLIER -92.8 -53.38 4.19 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.488 1.118 . . . . 0.0 110.323 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.558 HG22 ' CAC' ' A' ' 95' ' ' HEM . 0.2 OUTLIER -41.02 -27.67 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.764 HD21 ' CE1' ' A' ' 39' ' ' HIS . 0.7 OUTLIER -84.97 -61.01 1.88 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.576 ' HG3' HD21 ' A' ' 36' ' ' LEU . 8.4 mtm180 -58.58 -57.16 14.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.294 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 44' ' ' GLU . 7.1 tt0 -34.02 -44.79 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 110.308 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.435 ' HG3' ' HB2' ' A' ' 54' ' ' ALA . 5.2 pt20 -132.15 51.83 2.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.537 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -73.87 -91.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.349 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -41.47 -31.02 0.59 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.555 1.159 . . . . 0.0 111.035 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.53 -137.55 0.01 OUTLIER Glycine 0 CA--C 1.53 0.969 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -132.98 110.98 10.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 0.737 . . . . 0.0 109.295 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.667 ' HB3' HG21 ' A' ' 23' ' ' VAL . . . -113.97 18.19 17.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.353 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.8 m -49.95 -61.52 2.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 110.425 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -66.63 -41.94 87.53 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 0.0 110.271 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -64.13 -13.56 48.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.814 ' CD1' ' CE1' ' A' ' 63' ' ' HIS . 72.6 t80 -99.1 -40.45 8.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 110.978 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -80.09 -33.75 38.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.616 1.197 . . . . 0.0 110.34 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -57.44 -43.78 84.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.975 HG11 HMD1 ' A' ' 95' ' ' HEM . 7.8 m -67.4 -15.19 19.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.158 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 59.11 84.9 0.04 OUTLIER Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.526 1.141 . . . . 0.0 110.972 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.814 ' CE1' ' CD1' ' A' ' 58' ' ' PHE . 34.4 m80 -71.9 140.16 49.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 0.765 . . . . 0.0 109.601 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 20.5 m -81.23 169.98 16.66 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.427 1.08 . . . . 0.0 109.979 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -50.44 -47.46 56.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 110.407 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -40.58 -40.62 1.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.48 -46.63 59.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.24 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 65' ' ' THR . 80.4 mtt-85 -44.14 -34.29 1.78 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.59 1.181 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -76.37 -56.24 4.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.335 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.557 ' O ' ' N ' ' A' ' 73' ' ' THR . 0.3 OUTLIER -53.31 -61.48 2.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.594 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 8.0 p -40.3 -57.63 1.7 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.105 . . . . 0.0 109.976 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.817 ' O ' HG22 ' A' ' 75' ' ' ILE . 3.8 tttm -58.74 -28.85 66.26 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.413 1.07 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.557 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -80.03 -30.01 39.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.419 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.565 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 34.8 m-85 -100.18 37.13 1.71 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.091 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.817 HG22 ' O ' ' A' ' 72' ' ' LYS . 9.8 tp -107.46 139.8 28.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.814 HD11 HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -123.63 -33.75 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.434 1.084 . . . . 0.0 109.291 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 173.31 -163.69 35.26 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.432 ' HA ' ' HA ' ' A' ' 28' ' ' LYS . 10.9 pt-20 -124.53 164.91 18.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 0.722 . . . . 0.0 110.303 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.728 ' C ' HD22 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -98.32 147.52 24.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.535 ' O ' HD22 ' A' ' 79' ' ' LEU . 0.1 OUTLIER -43.65 114.44 1.74 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.597 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.413 ' HA ' ' HB2' ' A' ' 84' ' ' ARG . 18.2 Cg_endo -75.02 -5.1 16.35 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.422 1.749 . . . . 0.0 110.954 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -79.92 -33.1 40.07 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.447 1.092 . . . . 0.0 109.347 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -99.84 -17.06 17.83 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.532 1.145 . . . . 0.0 109.355 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.419 ' HG3' HD11 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -60.1 -17.56 40.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 110.308 179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 48.7 m -107.55 53.65 0.68 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.502 1.126 . . . . 0.0 109.998 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.32 21.34 5.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.9 tp -71.19 -31.52 44.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.434 1.084 . . . . 0.0 109.312 179.957 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' HEM . . . . . 0.975 HMD1 HG11 ' A' ' 61' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.401 ' CG1' ' CE1' ' A' ' 6' ' ' TYR . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.574 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -112.96 122.69 48.4 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.535 1.147 . . . . 0.0 109.369 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.401 ' CE1' ' CG1' ' A' ' 4' ' ' VAL . 30.4 m-85 -100.46 122.36 43.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 111.013 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.574 ' CE1' ' HB3' ' A' ' 5' ' ' LYS . 9.6 m-85 -109.74 148.68 30.98 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 111.048 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.9 p -75.12 155.75 36.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.403 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.488 ' HA ' HD11 ' A' ' 12' ' ' ILE . 1.5 pt? -62.56 -14.43 42.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.155 . . . . 0.0 109.355 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.82 -35.66 77.26 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.589 1.181 . . . . 0.0 110.303 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.2 OUTLIER -59.32 -71.2 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.338 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.497 ' H ' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -36.49 -47.58 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.349 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.423 ' C ' ' N ' ' A' ' 15' ' ' HIS . 6.4 mm-40 -54.82 -81.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.203 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.412 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 0.2 OUTLIER -45.01 -26.32 0.42 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.579 1.174 . . . . 0.0 109.307 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.423 ' N ' ' C ' ' A' ' 13' ' ' GLN . 85.8 m-70 -95.13 45.49 1.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.08 . . . . 0.0 109.629 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -109.69 26.82 10.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -122.39 169.21 11.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.6 ' O ' HG23 ' A' ' 33' ' ' THR . 0.5 OUTLIER -56.02 -48.67 75.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.586 1.179 . . . . 0.0 110.021 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.565 ' O ' HG21 ' A' ' 33' ' ' THR . 0.6 OUTLIER -40.9 -51.84 3.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.427 1.079 . . . . 0.0 109.305 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.4 m -138.43 94.14 2.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 109.998 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.678 HG21 HD23 ' A' ' 36' ' ' LEU . 1.7 m -96.69 113.36 24.92 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.142 . . . . 0.0 110.431 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 9.2 m0 -118.38 156.97 28.03 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.66 HG21 ' HB3' ' A' ' 54' ' ' ALA . 3.2 p -158.29 116.59 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.43 1.081 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.461 HD12 ' O ' ' A' ' 52' ' ' GLY . 5.8 mt -64.07 112.71 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.171 . . . . 0.0 109.244 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.636 HD13 HG22 ' A' ' 23' ' ' VAL . 0.7 OUTLIER -120.31 120.59 36.48 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 39.97 54.4 2.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.581 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.425 ' CG ' HH11 ' A' ' 84' ' ' ARG . 6.7 m170 56.83 50.43 12.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.611 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.411 ' HG2' HD11 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -170.01 103.13 0.3 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.823 HG23 HD11 ' A' ' 76' ' ' ILE . 7.9 m -60.88 142.42 15.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.593 ' CE2' ' HB3' ' A' ' 71' ' ' SER . 3.6 m-30 -116.97 109.85 17.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.938 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -80.55 81.83 6.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.088 . . . . 0.0 109.32 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.54 HD22 ' HAB' ' A' ' 95' ' ' HEM . 0.7 OUTLIER -99.42 43.17 1.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.6 HG23 ' O ' ' A' ' 18' ' ' SER . 80.4 m -60.57 -48.22 82.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.427 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.97 -40.12 72.12 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.605 1.191 . . . . 0.0 109.317 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.586 ' CD2' ' O ' ' A' ' 35' ' ' TYR . 80.9 t80 -89.96 25.98 1.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 111.072 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.678 HD23 HG21 ' A' ' 21' ' ' THR . 1.7 tm? -82.0 -49.86 9.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.232 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -90.14 -6.89 54.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.27 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -87.63 -22.95 24.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.254 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.667 ' CE1' HD21 ' A' ' 46' ' ' LEU . 4.8 t-160 -50.05 126.76 20.59 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.564 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.597 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.4 Cg_endo -75.02 -28.74 8.87 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.512 1.796 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.47 -68.75 1.55 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.558 1.161 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.05 150.02 11.33 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.494 ' HA ' HD12 ' A' ' 46' ' ' LEU . 9.0 pt-20 -86.22 -27.08 24.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 0.771 . . . . 0.0 110.296 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.539 ' O ' ' N ' ' A' ' 48' ' ' GLU . 3.1 mt-10 -76.31 -54.73 6.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.425 1.078 . . . . 0.0 110.28 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.583 HG22 ' CAC' ' A' ' 95' ' ' HEM . 0.2 OUTLIER -39.88 -28.98 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.667 HD21 ' CE1' ' A' ' 39' ' ' HIS . 1.2 mt -86.01 -57.85 2.87 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.536 1.148 . . . . 0.0 109.327 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.547 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 27.0 mtm180 -61.56 -57.87 10.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.414 1.071 . . . . 0.0 110.308 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.539 ' N ' ' O ' ' A' ' 44' ' ' GLU . 4.8 tt0 -33.52 -44.84 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 110.272 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -131.12 52.1 2.09 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.518 1.136 . . . . 0.0 110.327 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.547 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -74.37 -91.32 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.427 1.08 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.411 ' O ' ' HB ' ' A' ' 12' ' ' ILE . . . -39.77 -32.08 0.3 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.485 1.116 . . . . 0.0 110.974 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.461 ' O ' HD12 ' A' ' 24' ' ' ILE . . . -60.23 -138.8 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -133.87 110.99 10.11 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.527 0.781 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.66 ' HB3' HG21 ' A' ' 23' ' ' VAL . . . -110.18 28.56 8.5 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.515 1.134 . . . . 0.0 109.242 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 20.8 m -56.5 -69.64 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 110.355 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -60.65 -37.42 81.46 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.477 1.111 . . . . 0.0 110.333 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.6 ' O ' HG13 ' A' ' 61' ' ' VAL . 5.4 m-80 -62.55 -24.13 67.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.669 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.4 OUTLIER -90.84 -39.96 12.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 110.916 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -76.57 -35.38 58.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.437 1.085 . . . . 0.0 110.313 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -57.89 -43.36 86.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.08 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.999 HG11 HMD1 ' A' ' 95' ' ' HEM . 5.3 m -71.03 -15.38 18.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.311 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 58.79 85.1 0.04 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.509 1.131 . . . . 0.0 111.013 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.416 ' CE1' ' CG2' ' A' ' 61' ' ' VAL . 31.1 m80 -70.03 139.84 52.75 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.495 0.762 . . . . 0.0 109.534 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -81.7 170.01 16.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.008 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -50.74 -47.65 59.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.465 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -41.54 -40.1 1.76 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 109.244 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.67 -48.34 69.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.359 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 65' ' ' THR . 11.9 mtt-85 -45.89 -34.45 3.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.274 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -71.43 -56.1 6.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.329 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.476 ' O ' ' C ' ' A' ' 71' ' ' SER . 0.0 OUTLIER -58.96 -62.41 1.9 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.553 1.158 . . . . 0.0 109.335 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.593 ' HB3' ' CE2' ' A' ' 30' ' ' TYR . 58.8 m -32.86 -58.86 0.35 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.971 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.597 ' O ' HG22 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -55.85 -51.28 68.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 0.0 109.299 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.463 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -57.7 -32.64 67.58 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.132 . . . . 0.0 110.468 179.932 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.534 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 51.1 m-85 -99.86 41.81 1.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.977 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.597 HG22 ' O ' ' A' ' 72' ' ' LYS . 5.1 tt -116.7 139.88 41.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.551 1.157 . . . . 0.0 109.333 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.823 HD11 HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -123.03 -38.07 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.338 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.46 ' N ' HG12 ' A' ' 76' ' ' ILE . . . 173.78 -164.06 35.41 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.501 1.126 . . . . 0.0 111.042 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -120.49 163.96 17.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 0.78 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 1.092 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -91.79 148.38 22.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.335 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.51 ' N ' HD22 ' A' ' 79' ' ' LEU . 0.9 OUTLIER -42.02 115.45 1.52 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.57 1.169 . . . . 0.0 109.638 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.587 ' HA ' ' CD ' ' A' ' 84' ' ' ARG . 18.4 Cg_endo -75.05 -3.08 13.4 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.598 1.841 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -80.56 -39.62 27.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.154 . . . . 0.0 109.324 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -99.77 -10.73 21.5 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.587 ' CD ' ' HA ' ' A' ' 81' ' ' PRO . 3.1 ptt180 -60.53 -29.19 68.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 0.0 110.302 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -109.78 46.21 1.03 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.569 1.168 . . . . 0.0 109.998 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.7 33.95 2.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.371 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.8 mp -99.69 -58.42 3.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.422 0 O-C-N 124.492 1.12 . . . . 0.0 109.358 179.95 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' HEM . . . . . 0.999 HMD1 HG11 ' A' ' 61' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.575 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -116.71 125.2 51.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.412 1.07 . . . . 0.0 109.313 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -100.83 114.08 27.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 0.0 111.048 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.575 ' CE1' ' HB3' ' A' ' 5' ' ' LYS . 16.4 m-85 -104.69 151.0 24.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.105 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.9 p -78.43 149.38 33.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.441 1.088 . . . . 0.0 110.381 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.714 ' HB2' HD11 ' A' ' 87' ' ' ILE . 2.1 pt? -54.43 -16.33 2.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -69.15 -39.1 79.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.565 1.166 . . . . 0.0 110.329 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.432 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -52.52 -67.52 0.25 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 110.278 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.458 ' HB ' ' CA ' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -43.94 -50.74 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.266 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -48.44 -76.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.432 ' HG2' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -50.93 -30.45 14.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.408 1.068 . . . . 0.0 109.263 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.43 ' N ' ' O ' ' A' ' 11' ' ' GLU . 80.6 m-70 -90.42 44.4 1.2 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.513 1.133 . . . . 0.0 109.594 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.488 ' HG3' ' HB3' ' A' ' 50' ' ' ALA . 25.0 tttt -110.41 31.2 6.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.435 1.085 . . . . 0.0 109.347 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -128.75 168.72 15.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.108 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.626 ' O ' HG23 ' A' ' 33' ' ' THR . 0.1 OUTLIER -52.72 -51.02 62.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.039 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.535 ' O ' HG21 ' A' ' 33' ' ' THR . 2.4 tttt -40.33 -53.41 2.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.9 m -135.37 96.22 3.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.425 1.078 . . . . 0.0 110.038 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.844 HG21 HD23 ' A' ' 36' ' ' LEU . 1.9 m -99.0 113.37 25.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 110.489 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.442 ' O ' ' C ' ' A' ' 50' ' ' ALA . 10.2 m0 -119.54 159.34 24.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.557 1.16 . . . . 0.0 107.981 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.619 ' CG2' ' HB3' ' A' ' 54' ' ' ALA . 7.2 p -158.21 116.16 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.377 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.471 ' O ' HD12 ' A' ' 25' ' ' LEU . 9.9 mt -65.64 119.59 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.638 HD22 ' CD2' ' A' ' 30' ' ' TYR . 1.5 mp -126.59 117.57 23.07 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 10.3 p-80 39.17 56.48 2.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.58 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 57.34 52.1 9.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.589 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.454 ' HE2' HD11 ' A' ' 75' ' ' ILE . 2.4 mttt -170.08 105.02 0.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.352 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.78 HG23 HD11 ' A' ' 76' ' ' ILE . 5.9 m -67.21 142.01 17.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 0.0 109.261 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.638 ' CD2' HD22 ' A' ' 25' ' ' LEU . 4.6 m-30 -117.31 110.74 18.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 110.992 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.421 ' HB2' HD12 ' A' ' 76' ' ' ILE . 51.7 t0 -81.18 79.73 7.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.591 HD22 ' HAB' ' A' ' 95' ' ' HEM . 0.7 OUTLIER -96.8 41.98 1.1 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 0.0 109.271 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.626 HG23 ' O ' ' A' ' 18' ' ' SER . 95.5 m -61.41 -46.03 91.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.438 1.086 . . . . 0.0 110.394 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.13 -39.2 68.98 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.539 ' HB2' ' CZ ' ' A' ' 74' ' ' TYR . 90.0 t80 -90.12 16.18 8.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.959 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.844 HD23 HG21 ' A' ' 21' ' ' THR . 1.7 tm? -71.23 -49.89 38.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.269 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.63 -8.0 53.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.427 1.08 . . . . 0.0 110.293 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -86.03 -22.72 27.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 110.317 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.657 ' CE1' HD21 ' A' ' 46' ' ' LEU . 5.2 t-160 -49.87 125.53 17.88 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.615 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.57 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.5 Cg_endo -74.94 -31.44 6.31 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.43 1.753 . . . . 0.0 111.041 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.76 -67.57 1.99 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.493 1.121 . . . . 0.0 110.97 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.11 149.14 10.49 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.547 ' HA ' HD12 ' A' ' 46' ' ' LEU . 3.7 pt-20 -85.9 -34.78 20.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 0.75 . . . . 0.0 110.371 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.504 ' O ' ' N ' ' A' ' 48' ' ' GLU . 2.8 mm-40 -68.76 -54.04 18.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.322 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.574 HG22 ' CAC' ' A' ' 95' ' ' HEM . 0.2 OUTLIER -39.84 -29.68 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.592 1.182 . . . . 0.0 109.248 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.657 HD21 ' CE1' ' A' ' 39' ' ' HIS . 0.9 OUTLIER -85.9 -61.43 1.75 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.551 1.157 . . . . 0.0 109.28 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.515 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 0.2 OUTLIER -56.67 -56.74 17.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.314 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' A' ' 44' ' ' GLU . 4.2 tp10 -33.79 -45.44 0.19 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.546 1.154 . . . . 0.0 110.317 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.459 ' HG3' ' HB2' ' A' ' 54' ' ' ALA . 2.8 pt20 -133.46 52.33 2.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 110.35 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.515 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -72.83 -89.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.458 ' CA ' ' HB ' ' A' ' 12' ' ' ILE . . . -41.49 -32.85 0.84 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.595 1.184 . . . . 0.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 51' ' ' GLY . . . -59.67 -139.88 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -131.42 110.13 10.81 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.484 0.755 . . . . 0.0 109.317 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.619 ' HB3' ' CG2' ' A' ' 23' ' ' VAL . . . -114.63 29.53 7.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 109.243 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.5 m -58.64 -60.34 3.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.401 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.415 ' O ' ' CB ' ' A' ' 60' ' ' ASP . 2.5 mp0 -64.64 -40.49 95.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.296 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -65.54 -15.46 62.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.322 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.822 ' CD1' ' CE1' ' A' ' 63' ' ' HIS . 73.7 t80 -98.0 -40.75 8.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.542 1.151 . . . . 0.0 111.041 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -79.99 -33.64 39.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 110.252 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.415 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 30.2 t70 -57.32 -45.52 84.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.955 HG11 HMD1 ' A' ' 95' ' ' HEM . 10.9 m -65.75 -18.64 24.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.42 1.075 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 63.12 83.07 0.08 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.822 ' CE1' ' CD1' ' A' ' 58' ' ' PHE . 35.7 m80 -70.74 138.91 50.92 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.44 0.729 . . . . 0.0 109.607 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.2 p -81.07 170.17 16.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.983 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -51.32 -42.81 61.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.118 . . . . 0.0 110.405 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -43.78 -40.64 4.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.357 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.3 -46.09 71.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.335 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -41.24 -48.35 3.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 110.319 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -61.97 -53.02 61.51 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 0.0 110.261 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.471 ' O ' ' C ' ' A' ' 71' ' ' SER . 2.4 mp -57.56 -67.18 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.596 1.185 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.608 ' HB3' ' CE2' ' A' ' 30' ' ' TYR . 26.1 m -33.12 -55.14 0.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 110.007 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.614 ' O ' HG22 ' A' ' 75' ' ' ILE . 0.1 OUTLIER -58.21 -52.65 64.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.587 1.179 . . . . 0.0 109.278 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.46 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.7 OUTLIER -57.17 -32.09 66.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.471 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.539 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 58.8 m-85 -100.04 42.04 1.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 110.975 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.614 HG22 ' O ' ' A' ' 72' ' ' LYS . 5.9 tt -116.46 140.26 39.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.425 1.078 . . . . 0.0 109.297 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.78 HD11 HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -123.13 -38.74 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.296 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.633 ' O ' HG22 ' A' ' 29' ' ' VAL . . . 172.64 -168.31 41.34 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.491 1.12 . . . . 0.0 110.991 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -114.58 170.11 8.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 0.768 . . . . 0.0 110.25 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.733 ' C ' HD22 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -102.24 147.53 26.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.353 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.532 ' O ' HD22 ' A' ' 79' ' ' LEU . 0.3 OUTLIER -42.51 114.4 1.44 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.561 -179.929 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -1.85 11.77 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.529 1.805 . . . . 0.0 110.968 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -79.74 -35.79 38.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -100.14 -14.62 18.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.267 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.449 ' HG3' HD11 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -59.86 -36.26 76.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 110.315 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.7 t -66.97 -44.98 79.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.417 1.073 . . . . 0.0 109.967 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 16.5 mttt -92.36 28.08 2.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.714 HD11 ' HB2' ' A' ' 9' ' ' LEU . 5.3 tp -76.54 -32.35 21.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.482 1.114 . . . . 0.0 109.251 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.948 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' HEM . . . . . 0.955 HMD1 HG11 ' A' ' 61' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.494 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 9.2 mmmm -116.26 124.0 49.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.393 1.058 . . . . 0.0 109.306 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -101.0 105.92 17.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.989 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.494 ' CE1' ' HB3' ' A' ' 5' ' ' LYS . 10.5 m-85 -95.51 147.93 23.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.2 p -77.86 147.99 34.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.344 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.415 ' O ' HG12 ' A' ' 12' ' ' ILE . 0.9 OUTLIER -52.32 -19.83 2.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.538 1.149 . . . . 0.0 109.33 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.54 -34.63 78.68 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.145 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.484 ' O ' ' HG3' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -59.74 -72.33 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.248 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.465 ' H ' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -37.05 -41.55 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.302 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -59.93 -76.4 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 110.25 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.601 ' HD2' ' CE1' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -51.19 -21.4 2.01 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.601 ' CE1' ' HD2' ' A' ' 14' ' ' LYS . 73.4 m-70 -97.6 44.83 1.04 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.596 1.185 . . . . 0.0 109.652 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.7 tttt -110.04 34.74 3.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.257 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -129.85 168.55 16.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.245 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.621 ' O ' HG23 ' A' ' 33' ' ' THR . 0.1 OUTLIER -55.78 -45.9 78.05 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 1.128 . . . . 0.0 110.05 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.483 ' O ' HG21 ' A' ' 33' ' ' THR . 0.0 OUTLIER -45.13 -51.97 9.75 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 109.367 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.2 m -137.08 96.08 3.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.992 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.403 HG21 HD23 ' A' ' 36' ' ' LEU . 1.4 m -100.74 112.64 25.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 110.363 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.407 ' CZ3' ' CD2' ' A' ' 7' ' ' TYR . 13.0 m0 -117.62 161.01 20.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 108.017 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.7 ' CG2' ' HB3' ' A' ' 54' ' ' ALA . 7.3 p -158.15 123.71 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.548 1.155 . . . . 0.0 109.324 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.48 HD12 ' O ' ' A' ' 52' ' ' GLY . 9.1 mt -70.2 113.25 5.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.429 1.081 . . . . 0.0 109.234 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.587 HD22 ' CD2' ' A' ' 30' ' ' TYR . 1.0 OUTLIER -123.03 115.74 22.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.329 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 41.37 57.44 2.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.604 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 55.36 52.92 10.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.642 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.463 ' HG2' HD11 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -170.09 112.63 0.46 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.09 . . . . 0.0 109.327 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.75 HG23 HD11 ' A' ' 76' ' ' ILE . 8.0 m -71.41 139.7 19.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.85 ' CE1' HD13 ' A' ' 75' ' ' ILE . 4.3 m-30 -116.18 109.96 18.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 111.01 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -80.08 76.05 6.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.469 ' O ' ' N ' ' A' ' 36' ' ' LEU . 0.9 OUTLIER -90.99 37.87 0.94 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.152 . . . . 0.0 109.295 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.621 HG23 ' O ' ' A' ' 18' ' ' SER . 93.4 m -57.51 -52.65 64.54 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.525 1.14 . . . . 0.0 110.433 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.36 -36.02 76.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.558 ' OH ' ' CHB' ' A' ' 95' ' ' HEM . 73.0 t80 -89.99 16.02 9.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.471 ' C ' HD13 ' A' ' 36' ' ' LEU . 2.1 tm? -74.96 -48.01 26.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.408 1.067 . . . . 0.0 109.255 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -90.12 -6.98 54.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 110.298 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.68 -25.86 23.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.623 ' CE1' HD21 ' A' ' 46' ' ' LEU . 5.2 t-160 -50.31 126.47 21.62 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.42 1.075 . . . . 0.0 109.599 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.573 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.3 Cg_endo -74.95 -29.19 8.58 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.527 1.804 . . . . 0.0 110.987 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.0 -68.3 1.71 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.475 1.109 . . . . 0.0 110.989 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.1 151.45 13.02 Favored Glycine 0 CA--C 1.529 0.92 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.43 ' HA ' HD12 ' A' ' 46' ' ' LEU . 3.4 pt-20 -88.41 -18.06 29.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.433 0.725 . . . . 0.0 110.305 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 48' ' ' GLU . 4.5 mm-40 -86.58 -54.38 4.43 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.501 1.125 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' A' ' 44' ' ' GLU . 0.2 OUTLIER -40.01 -29.16 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.272 -179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.638 HD23 ' C2C' ' A' ' 95' ' ' HEM . 1.4 mt -84.68 -63.95 1.24 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.259 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.619 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 0.1 OUTLIER -55.1 -55.72 27.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.218 -179.909 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' A' ' 44' ' ' GLU . 4.9 tt0 -35.08 -44.01 0.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.222 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.47 ' HG3' ' HB2' ' A' ' 54' ' ' ALA . 5.3 pt20 -130.35 47.7 2.49 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 110.278 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.619 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -70.27 -93.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 1.163 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.408 ' O ' ' O ' ' A' ' 52' ' ' GLY . . . -39.24 -32.06 0.21 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.564 1.165 . . . . 0.0 110.971 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.48 ' O ' HD12 ' A' ' 24' ' ' ILE . . . -59.85 -141.91 0.01 OUTLIER Glycine 0 CA--C 1.529 0.953 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.7 p-10 -129.08 112.45 14.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 0.734 . . . . 0.0 109.285 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.7 ' HB3' ' CG2' ' A' ' 23' ' ' VAL . . . -115.42 32.19 6.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 109.264 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 3.1 m -62.98 -63.59 1.16 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 110.355 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -63.7 -37.28 86.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.613 ' O ' HG13 ' A' ' 61' ' ' VAL . 2.5 m-80 -65.11 -22.4 66.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.61 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.5 OUTLIER -90.0 -40.0 12.6 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.571 1.169 . . . . 0.0 110.972 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -79.17 -35.46 41.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.13 . . . . 0.0 110.296 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -57.01 -44.88 83.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.958 HG11 HMD1 ' A' ' 95' ' ' HEM . 7.4 m -68.56 -17.95 22.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 61.55 83.83 0.06 OUTLIER Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.48 1.113 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.48 ' CE1' ' CG2' ' A' ' 61' ' ' VAL . 36.0 m80 -70.69 140.07 51.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 0.725 . . . . 0.0 109.564 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.07 169.86 17.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 110.022 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -51.43 -47.34 63.04 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.547 1.154 . . . . 0.0 110.43 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -41.05 -41.97 1.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.83 -47.3 69.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.271 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 65' ' ' THR . 1.0 OUTLIER -39.75 -43.61 1.44 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 110.322 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.79 -58.51 4.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.306 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.507 ' O ' ' N ' ' A' ' 73' ' ' THR . 0.2 OUTLIER -48.96 -63.93 0.95 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.259 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.586 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 2.6 p -39.93 -53.96 2.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.031 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.89 ' O ' HG22 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -61.72 -36.24 80.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.507 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -71.3 -31.09 67.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.441 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.554 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 40.1 m-85 -100.15 38.54 1.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 111.06 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.89 HG22 ' O ' ' A' ' 72' ' ' LYS . 9.8 tp -107.75 139.71 28.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.75 HD11 HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -125.15 -33.77 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.327 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.56 ' O ' HG22 ' A' ' 29' ' ' VAL . . . 165.56 -169.28 39.92 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.503 1.127 . . . . 0.0 110.963 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -115.08 168.52 9.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 0.737 . . . . 0.0 110.308 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.78 ' C ' HD22 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -108.61 150.35 27.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.582 ' CD2' ' HB2' ' A' ' 82' ' ' ASP . 4.0 t-160 -32.41 105.28 0.24 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.548 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.13 -3.84 14.5 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.419 1.747 . . . . 0.0 110.909 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.582 ' HB2' ' CD2' ' A' ' 80' ' ' HIS . 1.9 t0 -80.22 -37.05 33.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 109.254 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.557 ' O ' ' HB2' ' A' ' 88' ' ' ALA . 0.6 OUTLIER -100.17 21.39 12.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.23 -0.1 33.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.243 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.3 m -107.62 -99.79 0.36 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.566 1.166 . . . . 0.0 110.028 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -100.21 -29.11 12.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 109.392 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.453 HG22 ' CG ' ' A' ' 83' ' ' ASP . 1.5 mp -65.83 -12.66 14.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.254 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.557 ' HB2' ' O ' ' A' ' 83' ' ' ASP . . . . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 109.35 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' HEM . . . . . 0.958 HMD1 HG11 ' A' ' 61' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.463 ' CG1' ' CE1' ' A' ' 6' ' ' TYR . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.455 ' HB3' ' CZ ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -110.2 120.13 41.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.588 1.18 . . . . 0.0 109.254 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.463 ' CE1' ' CG1' ' A' ' 4' ' ' VAL . 31.8 m-85 -100.23 109.07 21.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.135 . . . . 0.0 111.042 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.455 ' CZ ' ' HB3' ' A' ' 5' ' ' LYS . 29.4 m-85 -99.41 155.77 17.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.561 1.163 . . . . 0.0 111.038 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.402 ' C ' ' N ' ' A' ' 10' ' ' GLU . 1.7 p -84.98 143.83 28.69 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.473 1.108 . . . . 0.0 110.41 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.412 ' O ' HG12 ' A' ' 12' ' ' ILE . 1.0 OUTLIER -49.14 -21.87 0.84 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.455 1.097 . . . . 0.0 109.289 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.402 ' N ' ' C ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -63.77 -32.24 73.68 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.553 1.158 . . . . 0.0 110.295 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.508 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -61.78 -76.12 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 110.267 -179.908 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.508 ' C ' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -32.35 -42.51 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 0.0 109.289 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 11' ' ' GLU . 11.1 mm-40 -57.01 -74.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 110.282 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -51.61 -27.56 11.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.367 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.421 ' NE2' ' HG3' ' A' ' 11' ' ' GLU . 74.8 m-70 -93.26 46.78 1.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 0.0 109.63 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -110.0 28.59 8.45 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 109.284 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -126.1 169.76 12.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 0.0 109.336 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.576 ' O ' HG23 ' A' ' 33' ' ' THR . 3.5 m -54.7 -48.72 72.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.017 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.681 ' O ' HG21 ' A' ' 33' ' ' THR . 1.0 OUTLIER -42.16 -57.62 2.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.409 ' O ' ' O ' ' A' ' 15' ' ' HIS . 57.8 m -129.89 90.87 3.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 110.027 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.753 HG21 HD23 ' A' ' 36' ' ' LEU . 1.4 m -96.35 110.51 22.83 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.532 1.145 . . . . 0.0 110.422 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 15.6 m0 -117.78 160.05 22.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.137 . . . . 0.0 107.947 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.662 ' CG2' ' HB3' ' A' ' 54' ' ' ALA . 9.5 p -155.54 124.73 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.537 ' O ' HD12 ' A' ' 25' ' ' LEU . 20.6 mt -70.88 114.68 9.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.563 1.164 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.626 HD22 ' CD2' ' A' ' 30' ' ' TYR . 2.2 mp -126.75 133.76 50.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.429 ' C ' ' O ' ' A' ' 25' ' ' LEU . 45.2 m-70 37.72 38.25 0.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 109.58 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 38.9 m-70 70.13 51.51 0.4 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 109.62 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.555 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -170.12 132.09 1.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 109.307 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.777 HG23 HD11 ' A' ' 76' ' ' ILE . 16.4 m -76.35 142.88 13.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.626 ' CD2' HD22 ' A' ' 25' ' ' LEU . 2.4 m-30 -118.39 105.68 11.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 111.05 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -75.6 82.39 2.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.57 HD22 ' HAB' ' A' ' 95' ' ' HEM . 0.9 OUTLIER -102.04 35.39 2.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.681 HG21 ' O ' ' A' ' 19' ' ' LYS . 6.7 m -58.1 -44.23 87.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 110.325 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.1 ttmm -72.07 -41.15 67.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.14 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.52 ' HB2' ' CZ ' ' A' ' 74' ' ' TYR . 90.9 t80 -89.6 16.9 7.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 111.093 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.753 HD23 HG21 ' A' ' 21' ' ' THR . 2.1 tm? -72.45 -48.04 44.19 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -89.77 -8.11 52.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.573 1.171 . . . . 0.0 110.277 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.34 -22.99 24.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.426 1.079 . . . . 0.0 110.315 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.715 ' CE1' HD21 ' A' ' 46' ' ' LEU . 5.2 t-160 -49.93 126.22 19.11 Favored Pre-proline 0 C--N 1.326 -0.421 0 O-C-N 124.478 1.111 . . . . 0.0 109.589 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.584 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.0 Cg_endo -75.09 -29.75 7.76 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.493 1.786 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.15 -67.85 1.88 Allowed Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.566 1.166 . . . . 0.0 111.028 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.0 148.36 9.97 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.461 ' HA ' HD12 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -86.91 -17.6 32.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 0.772 . . . . 0.0 110.268 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 48' ' ' GLU . 0.3 OUTLIER -86.69 -54.41 4.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.426 1.079 . . . . 0.0 110.255 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.418 ' H ' HG12 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -39.93 -29.17 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 109.254 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.715 HD21 ' CE1' ' A' ' 39' ' ' HIS . 1.2 mt -83.68 -60.64 2.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.573 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 22.3 mtm180 -58.32 -57.27 13.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.439 1.087 . . . . 0.0 110.309 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 44' ' ' GLU . 4.9 tt0 -33.65 -44.99 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.333 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.448 ' HG3' ' HB2' ' A' ' 54' ' ' ALA . 4.9 pt20 -131.21 50.72 2.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 110.312 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.573 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -73.01 -88.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -43.83 -31.16 1.81 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.542 1.151 . . . . 0.0 111.006 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.471 ' O ' HD12 ' A' ' 24' ' ' ILE . . . -60.37 -137.95 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -132.73 110.02 10.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 0.778 . . . . 0.0 109.235 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.662 ' HB3' ' CG2' ' A' ' 23' ' ' VAL . . . -111.59 17.83 19.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.321 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.6 m -50.21 -60.8 2.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.375 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -66.27 -41.49 89.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.308 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.412 ' O ' HG13 ' A' ' 61' ' ' VAL . 2.0 m120 -65.42 -13.49 58.82 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.804 ' CD1' ' CE1' ' A' ' 63' ' ' HIS . 75.4 t80 -99.56 -40.01 8.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 111.044 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 60' ' ' ASP . 0.0 OUTLIER -81.49 -30.77 33.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.417 ' N ' ' HG3' ' A' ' 59' ' ' GLU . 30.3 t0 -61.09 -43.49 98.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.965 HG11 HMD1 ' A' ' 95' ' ' HEM . 7.1 m -67.81 -15.93 20.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 60.0 84.5 0.05 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.426 1.079 . . . . 0.0 111.034 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.804 ' CE1' ' CD1' ' A' ' 58' ' ' PHE . 35.7 m80 -71.58 140.07 49.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 0.775 . . . . 0.0 109.581 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 13.1 m -80.69 169.94 16.97 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.933 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -50.98 -47.25 61.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.403 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -41.34 -39.82 1.53 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.333 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.69 -47.28 66.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.611 1.194 . . . . 0.0 109.327 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 65' ' ' THR . 0.3 OUTLIER -42.29 -45.39 4.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.81 -51.49 61.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.477 ' O ' ' C ' ' A' ' 71' ' ' SER . 1.2 mp -58.77 -67.91 0.32 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.336 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.588 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 4.0 p -32.01 -57.8 0.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.974 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.812 ' O ' HG22 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -55.99 -52.99 62.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.329 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.47 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -57.62 -30.85 65.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 110.369 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.52 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 46.7 m-85 -99.95 39.9 1.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 110.986 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.812 HG22 ' O ' ' A' ' 72' ' ' LYS . 8.6 tt -117.06 140.65 38.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.777 HD11 HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -122.51 -38.55 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.556 1.16 . . . . 0.0 109.335 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.588 ' O ' HG22 ' A' ' 29' ' ' VAL . . . 174.36 -172.88 45.73 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.444 1.09 . . . . 0.0 111.001 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.417 ' HA ' ' HA ' ' A' ' 28' ' ' LYS . 0.7 OUTLIER -114.04 169.68 8.83 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.513 0.772 . . . . 0.0 110.369 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.666 ' C ' HD22 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -103.78 153.25 20.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.612 ' O ' HD22 ' A' ' 79' ' ' LEU . 0.6 OUTLIER -39.4 111.69 0.7 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 109.577 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.41 ' O ' ' HG2' ' A' ' 84' ' ' ARG . 18.4 Cg_endo -74.98 -4.56 15.59 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.505 1.792 . . . . 0.0 111.022 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -80.3 -39.45 28.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.426 1.079 . . . . 0.0 109.275 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.07 30.09 3.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.41 ' HG2' ' O ' ' A' ' 81' ' ' PRO . 3.3 ptm180 -77.54 -9.31 58.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 34.1 m -97.42 31.84 2.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 110.046 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.98 23.93 9.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 4.3 mt -94.98 -46.14 13.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.321 179.973 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' HEM . . . . . 0.965 HMD1 HG11 ' A' ' 61' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.592 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 0.4 OUTLIER -113.0 122.19 46.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.561 1.163 . . . . 0.0 109.262 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -100.96 102.1 13.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 111.005 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.592 ' CE1' ' HB3' ' A' ' 5' ' ' LYS . 17.5 m-85 -91.58 147.19 23.19 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 111.039 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.425 ' C ' ' N ' ' A' ' 10' ' ' GLU . 2.2 p -75.46 149.13 38.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.115 . . . . 0.0 110.408 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.543 ' HA ' HD11 ' A' ' 12' ' ' ILE . 0.5 OUTLIER -54.07 -16.18 1.84 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.463 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -71.15 -42.56 69.0 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.483 1.115 . . . . 0.0 110.313 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.543 ' O ' ' N ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -48.21 -69.26 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 110.352 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.543 HD11 ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -34.98 -54.77 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.434 ' HB2' ' O ' ' A' ' 10' ' ' GLU . 26.3 mm-40 -49.11 -46.78 45.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.556 1.16 . . . . 0.0 110.349 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.543 ' N ' ' O ' ' A' ' 11' ' ' GLU . 37.7 mmtt -60.62 -31.53 70.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.403 ' NE2' ' CG ' ' A' ' 11' ' ' GLU . 2.6 m-70 -94.36 59.61 2.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.099 . . . . 0.0 109.577 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -110.07 24.87 12.44 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.522 1.139 . . . . 0.0 109.35 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -135.09 168.27 19.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.777 ' O ' HG23 ' A' ' 33' ' ' THR . 2.9 t -56.94 -48.19 78.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.573 1.171 . . . . 0.0 110.004 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.556 ' O ' HG21 ' A' ' 33' ' ' THR . 0.3 OUTLIER -44.32 -44.68 8.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.8 p -139.08 98.76 3.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 110.052 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.64 HG21 HD23 ' A' ' 36' ' ' LEU . 2.4 m -109.7 112.69 24.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 110.381 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.418 ' O ' ' C ' ' A' ' 50' ' ' ALA . 9.1 m0 -119.33 157.68 27.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 0.0 108.0 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.525 ' CG2' ' HB3' ' A' ' 54' ' ' ALA . 13.7 p -154.53 120.75 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.367 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.477 HG13 HG21 ' A' ' 12' ' ' ILE . 23.4 mt -69.53 106.23 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.591 HD23 ' CE2' ' A' ' 30' ' ' TYR . 0.5 OUTLIER -115.88 120.59 39.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.571 ' O ' ' CG ' ' A' ' 27' ' ' HIS . 0.0 OUTLIER 40.1 60.62 1.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.611 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.571 ' CG ' ' O ' ' A' ' 26' ' ' HIS . 12.8 p80 50.65 48.41 22.72 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.585 1.178 . . . . 0.0 109.653 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' A' ' 27' ' ' HIS . 0.9 OUTLIER -166.01 107.74 0.74 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.421 1.076 . . . . 0.0 109.279 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.762 HG23 HD11 ' A' ' 76' ' ' ILE . 4.8 m -64.85 143.0 16.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.591 ' CE2' HD23 ' A' ' 25' ' ' LEU . 3.2 m-30 -117.72 110.93 18.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.408 ' HA ' ' CD1' ' A' ' 22' ' ' TRP . 17.6 t0 -77.73 78.58 4.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 109.244 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.404 HD22 ' HAB' ' A' ' 95' ' ' HEM . 1.0 OUTLIER -98.24 46.59 1.0 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.777 HG23 ' O ' ' A' ' 18' ' ' SER . 97.6 m -67.93 -49.9 59.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.568 1.167 . . . . 0.0 110.392 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.56 -35.74 73.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.565 ' HB2' ' CZ ' ' A' ' 74' ' ' TYR . 80.7 t80 -89.96 18.54 5.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 111.039 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.652 ' C ' HD13 ' A' ' 36' ' ' LEU . 1.7 tm? -77.2 -46.7 22.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.336 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -89.94 -7.44 54.08 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 110.26 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -88.56 -25.48 22.48 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.689 ' CE1' HD21 ' A' ' 46' ' ' LEU . 5.1 t-160 -50.07 123.04 15.35 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.575 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.432 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.5 Cg_endo -74.99 -31.72 5.99 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.533 1.807 . . . . 0.0 111.007 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.17 -64.52 3.84 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.466 1.104 . . . . 0.0 111.015 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.06 149.1 10.47 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.433 ' HA ' HD12 ' A' ' 46' ' ' LEU . 3.0 pt-20 -91.14 -19.24 23.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.415 0.715 . . . . 0.0 110.262 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.5 ' O ' ' N ' ' A' ' 48' ' ' GLU . 2.2 tt0 -86.15 -53.88 4.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.445 ' H ' HG12 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -39.87 -29.32 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.689 HD21 ' CE1' ' A' ' 39' ' ' HIS . 1.6 mt -82.55 -58.05 3.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 109.264 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.611 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 5.9 mtt180 -60.63 -55.56 31.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.299 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 44' ' ' GLU . 13.2 tt0 -33.8 -46.07 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.252 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -131.31 47.75 2.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.334 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.611 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -67.99 -91.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.434 ' CA ' ' HB ' ' A' ' 12' ' ' ILE . . . -41.17 -31.18 0.5 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.398 1.061 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 51' ' ' GLY . . . -60.13 -137.48 0.01 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.598 0.822 . . . . 0.0 111.049 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.9 p-10 -135.76 113.25 10.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 0.76 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.525 ' HB3' ' CG2' ' A' ' 23' ' ' VAL . . . -112.75 26.23 10.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.42 1.075 . . . . 0.0 109.351 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.443 ' O ' ' HB3' ' A' ' 58' ' ' PHE . 16.9 m -50.15 -71.54 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 110.389 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.458 ' O ' ' HB2' ' A' ' 60' ' ' ASP . 1.6 mm-40 -58.72 -43.58 90.2 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 110.27 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.612 ' O ' HG13 ' A' ' 61' ' ' VAL . 2.1 m120 -55.92 -22.53 26.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.665 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.2 OUTLIER -93.45 -39.74 10.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -76.05 -35.2 59.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.364 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.458 ' HB2' ' O ' ' A' ' 56' ' ' GLU . 7.6 t0 -59.55 -44.17 93.33 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.471 1.107 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.953 HG11 HMD1 ' A' ' 95' ' ' HEM . 5.2 m -69.52 -16.0 20.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.474 1.109 . . . . 0.0 109.214 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 56.49 85.71 0.03 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.458 1.099 . . . . 0.0 111.02 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.49 ' CE1' ' CG2' ' A' ' 61' ' ' VAL . 32.2 m80 -69.92 139.68 52.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 0.783 . . . . 0.0 109.585 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.2 p -80.19 170.02 17.0 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.531 1.144 . . . . 0.0 109.962 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.432 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -52.16 -44.81 64.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.4 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.93 -41.21 3.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.621 1.2 . . . . 0.0 109.334 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.42 -44.36 78.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.32 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.432 ' N ' ' O ' ' A' ' 65' ' ' THR . 0.0 OUTLIER -42.81 -42.95 3.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.272 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -68.22 -55.02 13.74 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.445 1.091 . . . . 0.0 110.314 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.462 ' O ' ' C ' ' A' ' 71' ' ' SER . 0.9 OUTLIER -54.24 -66.09 0.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.585 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 6.7 p -33.91 -56.34 0.47 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.1 . . . . 0.0 109.955 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.507 ' O ' HG22 ' A' ' 75' ' ' ILE . 2.2 mtmm -57.31 -51.51 69.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.234 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.7 OUTLIER -58.02 -32.02 67.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.424 1.078 . . . . 0.0 110.388 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.565 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 48.6 m-85 -100.12 41.02 1.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.507 HG22 ' O ' ' A' ' 72' ' ' LYS . 4.4 tt -116.13 140.08 39.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.762 HD11 HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -123.94 -38.24 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 109.276 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.536 ' O ' HG22 ' A' ' 29' ' ' VAL . . . 171.35 -169.4 42.46 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.53 1.144 . . . . 0.0 111.029 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -114.86 170.13 8.56 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.48 0.753 . . . . 0.0 110.343 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.737 ' C ' HD22 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -102.79 149.34 24.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.338 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.619 ' O ' HD22 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -38.66 113.46 0.75 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.551 1.157 . . . . 0.0 109.561 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.404 ' HA ' ' HB2' ' A' ' 84' ' ' ARG . 18.4 Cg_endo -74.97 -0.7 10.27 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.489 1.784 . . . . 0.0 111.0 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -76.8 -32.73 57.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.26 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -91.24 -30.88 16.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.265 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.468 ' HG3' HD11 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -59.81 -37.99 80.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.343 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 37.5 m -100.64 50.36 0.88 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.079 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 10.0 tttp -78.63 -20.47 50.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.246 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.417 HD13 ' HA ' ' A' ' 87' ' ' ILE . 26.1 mm -70.92 -49.82 47.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.376 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.247 179.978 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' HEM . . . . . 0.953 HMD1 HG11 ' A' ' 61' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.512 ' CG1' ' CE1' ' A' ' 6' ' ' TYR . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.519 ' HB3' ' CZ ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -108.44 119.98 41.08 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.512 ' CE1' ' CG1' ' A' ' 4' ' ' VAL . 29.9 m-85 -101.17 113.68 26.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 110.959 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.519 ' CZ ' ' HB3' ' A' ' 5' ' ' LYS . 20.6 m-85 -104.72 149.7 25.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 111.043 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.2 p -77.27 151.33 35.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 110.424 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.541 ' HB2' HD11 ' A' ' 87' ' ' ILE . 0.7 OUTLIER -57.34 -16.0 7.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.29 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.449 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -70.47 -42.84 70.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.483 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.1 OUTLIER -49.62 -70.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.485 HD11 ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -33.13 -57.86 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.579 1.174 . . . . 0.0 109.26 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.419 ' HB2' ' O ' ' A' ' 10' ' ' GLU . 2.9 mm-40 -44.1 -52.47 7.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 11' ' ' GLU . 59.8 mmtt -56.39 -43.35 79.2 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.218 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.474 ' NE2' ' CG ' ' A' ' 11' ' ' GLU . 2.4 m-70 -78.57 56.55 1.83 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.553 1.158 . . . . 0.0 109.61 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -109.99 23.93 13.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -136.66 170.05 16.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.331 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.657 ' O ' HG23 ' A' ' 33' ' ' THR . 45.1 m -56.89 -48.64 77.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.003 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.561 ' O ' HG21 ' A' ' 33' ' ' THR . 3.8 mttt -41.68 -47.78 4.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.436 ' O ' ' CA ' ' A' ' 15' ' ' HIS . 23.8 m -139.97 100.77 4.01 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.47 1.106 . . . . 0.0 109.972 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.697 HG21 HD23 ' A' ' 36' ' ' LEU . 1.6 m -109.36 112.38 24.47 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.427 1.079 . . . . 0.0 110.423 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.433 ' O ' ' C ' ' A' ' 50' ' ' ALA . 12.6 m0 -117.81 159.6 22.77 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.507 HG22 HD13 ' A' ' 25' ' ' LEU . 5.4 p -160.07 120.13 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 109.212 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.634 ' O ' HD12 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -63.99 123.23 16.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.547 1.154 . . . . 0.0 109.33 179.937 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.634 HD12 ' O ' ' A' ' 24' ' ' ILE . 1.8 mp -135.06 114.65 12.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.386 1.054 . . . . 0.0 109.338 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.529 ' CE1' ' CE1' ' A' ' 58' ' ' PHE . 0.1 OUTLIER 42.81 51.9 5.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.614 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 59.2 m80 56.51 53.23 8.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.564 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.546 ' HE3' HD11 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -170.09 97.7 0.28 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.796 HG23 HD11 ' A' ' 76' ' ' ILE . 6.9 m -57.17 140.96 14.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 109.243 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.611 ' CD2' HD22 ' A' ' 25' ' ' LEU . 4.5 m-30 -116.48 106.47 13.63 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.486 1.117 . . . . 0.0 111.042 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -77.31 76.0 3.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 109.322 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' ' 36' ' ' LEU . 0.8 OUTLIER -91.34 41.64 1.07 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.153 . . . . 0.0 109.33 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.657 HG23 ' O ' ' A' ' 18' ' ' SER . 10.4 m -61.54 -49.57 76.18 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.404 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.6 ttmm -69.16 -39.44 78.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 0.0 109.302 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.54 ' HB2' ' CZ ' ' A' ' 74' ' ' TYR . 90.0 t80 -90.13 17.09 7.37 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 110.974 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.697 HD23 HG21 ' A' ' 21' ' ' THR . 1.7 tm? -71.34 -49.91 37.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -89.19 -9.01 52.47 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.505 1.128 . . . . 0.0 110.28 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.26 -23.83 30.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.331 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.722 ' CE1' HD21 ' A' ' 46' ' ' LEU . 4.7 t-160 -50.0 126.58 19.98 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.52 1.137 . . . . 0.0 109.661 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.582 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.2 Cg_endo -74.99 -29.91 7.74 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.503 1.791 . . . . 0.0 111.034 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.62 -68.24 1.73 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.51 1.131 . . . . 0.0 111.015 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.06 150.21 11.5 Favored Glycine 0 CA--C 1.53 0.992 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.507 ' HA ' HD12 ' A' ' 46' ' ' LEU . 1.6 pt-20 -86.86 -23.42 25.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 0.776 . . . . 0.0 110.275 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 48' ' ' GLU . 1.3 tp10 -80.37 -54.36 5.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.294 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.435 HG22 ' CBC' ' A' ' 95' ' ' HEM . 0.2 OUTLIER -39.9 -29.57 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.157 . . . . 0.0 109.319 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.722 HD21 ' CE1' ' A' ' 39' ' ' HIS . 1.1 mt -84.04 -60.19 2.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.61 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 56.7 mtm180 -57.17 -57.16 13.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 110.257 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 44' ' ' GLU . 0.4 OUTLIER -33.91 -44.9 0.18 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.562 1.164 . . . . 0.0 110.314 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.627 ' HG3' ' HB2' ' A' ' 54' ' ' ALA . 0.5 OUTLIER -128.7 49.04 2.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 110.303 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.61 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -71.72 -94.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.454 ' O ' ' O ' ' A' ' 52' ' ' GLY . . . -34.85 -36.56 0.08 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.522 1.139 . . . . 0.0 111.055 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.454 ' O ' ' O ' ' A' ' 51' ' ' GLY . . . -58.3 -140.98 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.511 ' HA ' HG22 ' A' ' 24' ' ' ILE . 26.1 p-10 -138.1 113.33 9.34 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.478 0.752 . . . . 0.0 109.237 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.627 ' HB2' ' HG3' ' A' ' 49' ' ' GLN . . . -110.72 27.18 9.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.5 m -51.72 -61.49 2.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 110.377 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -63.36 -44.08 95.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 110.281 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.61 ' O ' HG13 ' A' ' 61' ' ' VAL . 2.4 m-80 -60.02 -21.05 60.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.65 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.3 OUTLIER -90.77 -39.94 12.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 111.055 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -77.28 -36.63 54.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.223 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -56.7 -44.57 81.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.976 HG11 HMD1 ' A' ' 95' ' ' HEM . 5.9 m -69.2 -16.11 20.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 58.4 85.13 0.04 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.567 1.167 . . . . 0.0 111.0 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.475 ' CE1' ' CG2' ' A' ' 61' ' ' VAL . 30.0 m80 -69.99 139.45 52.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 0.779 . . . . 0.0 109.623 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -80.82 169.93 16.94 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.426 1.079 . . . . 0.0 109.981 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.45 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -50.77 -47.49 59.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.329 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 65' ' ' THR . 0.2 OUTLIER -40.54 -42.14 1.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.35 -47.81 72.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.352 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 65' ' ' THR . 18.3 ttt180 -40.45 -47.44 2.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.3 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -63.7 -53.44 51.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.379 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.49 ' O ' ' C ' ' A' ' 71' ' ' SER . 2.3 mp -55.89 -67.61 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.603 ' HB3' ' CE2' ' A' ' 30' ' ' TYR . 46.8 m -31.59 -58.69 0.26 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 110.011 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.631 ' O ' HG22 ' A' ' 75' ' ' ILE . 0.1 OUTLIER -54.94 -53.69 52.35 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.582 1.176 . . . . 0.0 109.252 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.467 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.7 OUTLIER -56.62 -32.27 65.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.6 1.188 . . . . 0.0 110.386 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.54 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 56.1 m-85 -99.81 42.04 1.13 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 111.008 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.631 HG22 ' O ' ' A' ' 72' ' ' LYS . 6.2 tt -117.85 140.51 40.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.363 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.796 HD11 HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -124.11 -39.12 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.899 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.666 ' O ' HG22 ' A' ' 29' ' ' VAL . . . 174.03 -171.37 44.47 Favored Glycine 0 CA--C 1.531 1.092 0 O-C-N 124.475 1.11 . . . . 0.0 110.997 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.428 ' OE1' HG11 ' A' ' 4' ' ' VAL . 8.0 pt-20 -112.04 170.04 8.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 0.787 . . . . 0.0 110.314 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 1.048 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -107.11 152.9 23.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.27 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.752 ' N ' HD22 ' A' ' 79' ' ' LEU . 0.4 OUTLIER -36.32 110.65 0.46 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.542 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.422 ' HA ' ' HB2' ' A' ' 84' ' ' ARG . 18.1 Cg_endo -75.0 -12.26 21.5 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.504 1.792 . . . . 0.0 111.018 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -80.02 -39.31 30.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.19 -11.4 58.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.587 1.179 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.422 ' HB2' ' HA ' ' A' ' 81' ' ' PRO . 0.8 OUTLIER -60.66 -32.33 71.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 110.294 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 2.1 t -62.5 -45.84 91.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 110.028 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.2 ttpt -95.66 38.51 1.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.541 HD11 ' HB2' ' A' ' 9' ' ' LEU . 2.9 tp -91.42 -33.92 5.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.585 1.178 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 -179.999 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' HEM . . . . . 0.976 HMD1 HG11 ' A' ' 61' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.56 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -112.72 121.56 45.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -99.86 105.97 17.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.56 ' CE1' ' HB3' ' A' ' 5' ' ' LYS . 17.8 m-85 -94.44 150.2 20.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.123 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.8 p -77.42 148.63 35.37 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.132 . . . . 0.0 110.386 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.404 ' O ' HG12 ' A' ' 12' ' ' ILE . 0.4 OUTLIER -54.16 -18.92 4.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.125 . . . . 0.0 109.362 179.91 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.415 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 1.0 OUTLIER -71.89 -39.14 69.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.337 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.492 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -48.73 -71.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.573 1.171 . . . . 0.0 110.252 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.492 ' C ' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -33.41 -57.86 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.357 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -43.15 -52.91 5.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 110.333 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 11' ' ' GLU . 25.3 mmtt -52.97 -36.42 60.14 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.524 1.14 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.446 ' N ' ' O ' ' A' ' 12' ' ' ILE . 3.2 m-70 -91.77 59.45 3.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.632 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -109.27 14.88 23.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.561 1.163 . . . . 0.0 109.34 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -122.2 169.9 10.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 109.283 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.698 ' O ' HG23 ' A' ' 33' ' ' THR . 0.3 OUTLIER -60.12 -44.12 95.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.988 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.706 ' O ' HG21 ' A' ' 33' ' ' THR . 0.0 OUTLIER -49.42 -42.43 42.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.426 1.079 . . . . 0.0 109.305 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 15' ' ' HIS . 27.6 m -137.74 97.03 3.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 110.074 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.74 HG21 HD23 ' A' ' 36' ' ' LEU . 1.5 m -109.12 114.14 27.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.389 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.457 ' CD1' ' HA ' ' A' ' 31' ' ' ASP . 8.4 m0 -119.19 160.82 21.43 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.604 1.19 . . . . 0.0 107.969 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.69 ' CG2' ' HB3' ' A' ' 54' ' ' ALA . 7.2 p -159.93 117.91 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.239 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.543 ' O ' HD12 ' A' ' 25' ' ' LEU . 15.6 mt -67.09 120.61 14.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.63 HD22 ' CD2' ' A' ' 30' ' ' TYR . 1.4 mp -128.82 123.3 32.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.571 ' CE1' ' HB3' ' A' ' 25' ' ' LEU . 0.1 OUTLIER 37.98 54.34 1.62 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.599 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 78.2 m-70 57.6 51.25 9.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 109.62 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.414 ' HG2' HD11 ' A' ' 75' ' ' ILE . 0.2 OUTLIER -169.97 110.2 0.41 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.86 HG23 HD11 ' A' ' 76' ' ' ILE . 9.1 m -68.06 142.14 16.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.369 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.63 ' CD2' HD22 ' A' ' 25' ' ' LEU . 4.7 m-30 -116.72 104.62 11.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 110.965 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.498 ' CG ' ' CG2' ' A' ' 76' ' ' ILE . 18.1 p-10 -72.92 76.38 1.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.507 HD11 HD13 ' A' ' 46' ' ' LEU . 0.5 OUTLIER -94.74 43.17 1.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.346 179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.706 HG21 ' O ' ' A' ' 19' ' ' LYS . 77.5 m -65.93 -46.36 78.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.485 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.1 ttmm -69.33 -42.44 75.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 109.256 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.543 ' HB2' ' CZ ' ' A' ' 74' ' ' TYR . 93.4 t80 -89.92 23.08 2.89 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.464 1.103 . . . . 0.0 111.077 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.74 HD23 HG21 ' A' ' 21' ' ' THR . 1.1 tm? -74.69 -47.95 28.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.418 ' N ' HD13 ' A' ' 36' ' ' LEU . 6.0 mt-10 -90.07 -9.44 48.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.156 . . . . 0.0 110.348 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.455 ' HB3' ' CD1' ' A' ' 35' ' ' TYR . 0.0 OUTLIER -84.18 -23.29 30.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.319 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.707 ' CE1' HD21 ' A' ' 46' ' ' LEU . 5.3 t-160 -50.33 125.94 20.8 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.632 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.579 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.2 Cg_endo -75.07 -29.35 8.21 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.489 1.784 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.9 -67.01 2.16 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.483 1.114 . . . . 0.0 110.994 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.1 149.47 10.8 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.465 ' HA ' HD12 ' A' ' 46' ' ' LEU . 2.3 pt-20 -87.97 -19.74 26.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 0.0 110.297 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.526 ' O ' ' N ' ' A' ' 48' ' ' GLU . 3.1 mm-40 -84.13 -54.01 5.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 110.271 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.547 HG22 ' CAC' ' A' ' 95' ' ' HEM . 0.2 OUTLIER -40.19 -28.48 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 109.291 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.707 HD21 ' CE1' ' A' ' 39' ' ' HIS . 0.8 OUTLIER -85.74 -60.14 2.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.6 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -59.41 -57.04 14.74 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.506 1.129 . . . . 0.0 110.27 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.526 ' N ' ' O ' ' A' ' 44' ' ' GLU . 3.6 tt0 -33.91 -45.09 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.36 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -131.47 48.22 2.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.432 1.082 . . . . 0.0 110.241 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.6 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -69.41 -94.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.232 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.458 ' CA ' ' HB ' ' A' ' 12' ' ' ILE . . . -36.67 -32.64 0.06 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.537 1.148 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 50' ' ' ALA . . . -60.09 -140.49 0.01 OUTLIER Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -131.28 114.7 15.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 0.744 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.69 ' HB3' ' CG2' ' A' ' 23' ' ' VAL . . . -115.48 22.55 13.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.38 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.8 m -52.37 -61.37 2.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 110.418 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -64.75 -41.03 96.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.098 . . . . 0.0 110.278 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.546 ' O ' HG13 ' A' ' 61' ' ' VAL . 2.0 m120 -63.52 -16.96 62.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.285 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.624 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.3 OUTLIER -95.5 -40.16 9.6 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.114 . . . . 0.0 110.986 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -78.73 -35.44 44.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.254 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -58.54 -43.5 89.27 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 109.326 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.954 HG11 HMD1 ' A' ' 95' ' ' HEM . 5.9 m -69.54 -17.1 21.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 59.28 85.22 0.04 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.578 1.174 . . . . 0.0 111.04 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.472 ' CE1' ' CG2' ' A' ' 61' ' ' VAL . 31.6 m80 -70.46 139.98 51.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 0.775 . . . . 0.0 109.575 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.29 169.99 17.01 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.528 1.143 . . . . 0.0 110.029 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.423 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -51.88 -46.11 64.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 110.373 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -42.05 -39.6 1.99 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 109.257 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.86 -47.42 65.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.423 ' N ' ' O ' ' A' ' 65' ' ' THR . 2.1 tpp180 -40.31 -41.88 1.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 0.0 110.273 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -69.84 -56.74 6.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.319 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.462 ' O ' ' C ' ' A' ' 71' ' ' SER . 1.1 mp -52.43 -65.56 0.54 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.122 . . . . 0.0 109.276 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.605 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 8.5 p -34.15 -56.91 0.49 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 109.945 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.56 ' O ' HG22 ' A' ' 75' ' ' ILE . 1.9 ttmt -56.33 -51.44 68.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 109.362 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -58.67 -31.98 68.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.379 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.543 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 47.9 m-85 -100.17 42.36 1.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 111.015 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.56 HG22 ' O ' ' A' ' 72' ' ' LYS . 5.0 tt -116.44 139.93 40.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.86 HD11 HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -122.61 -36.38 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.508 1.13 . . . . 0.0 109.34 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.407 ' N ' HG12 ' A' ' 76' ' ' ILE . . . 172.08 -166.05 38.83 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.395 1.059 . . . . 0.0 110.986 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 5' ' ' LYS . 3.0 pt-20 -119.15 168.38 10.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 0.76 . . . . 0.0 110.322 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.62 ' C ' HD22 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -101.58 154.15 19.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.345 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.523 ' CD2' ' HB2' ' A' ' 82' ' ' ASP . 3.6 t-160 -46.19 107.41 0.68 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.563 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -2.3 12.37 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.446 1.761 . . . . 0.0 110.975 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.523 ' HB2' ' CD2' ' A' ' 80' ' ' HIS . 13.8 t0 -80.28 -33.5 37.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 0.0 109.265 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -100.16 -18.84 16.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.079 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.89 -32.62 70.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.332 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.2 m -109.99 44.34 1.23 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 110.019 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -90.9 37.1 0.92 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.3 tp -93.07 -29.73 4.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.513 1.133 . . . . 0.0 109.278 -179.992 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' HEM . . . . . 0.954 HMD1 HG11 ' A' ' 61' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.492 ' CG1' ' CE1' ' A' ' 6' ' ' TYR . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.45 120.44 42.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.26 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.492 ' CE1' ' CG1' ' A' ' 4' ' ' VAL . 30.2 m-85 -99.47 109.06 21.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 111.034 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -94.27 151.36 19.5 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.545 1.153 . . . . 0.0 111.019 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.7 p -80.68 145.88 31.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -52.31 -21.01 3.08 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.421 1.076 . . . . 0.0 109.333 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.46 -33.88 76.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 110.333 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.501 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -59.89 -77.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 110.304 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.501 ' C ' ' O ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -32.91 -42.34 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 109.279 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.421 ' O ' ' HB2' ' A' ' 16' ' ' LYS . 2.9 mm100 -56.69 -60.2 3.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.3 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 11' ' ' GLU . 1.1 ptpm? -66.27 -10.85 46.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 75.3 m-70 -104.24 47.87 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.611 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.475 ' HG2' ' HB3' ' A' ' 50' ' ' ALA . 0.0 OUTLIER -110.12 16.98 21.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.315 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -114.76 168.82 9.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.276 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.65 ' O ' HG23 ' A' ' 33' ' ' THR . 0.1 OUTLIER -61.09 -44.67 97.01 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.52 1.137 . . . . 0.0 109.985 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.601 ' O ' HG21 ' A' ' 33' ' ' THR . 12.6 mttt -43.25 -49.54 6.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.0 m -139.71 96.57 3.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.998 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.732 HG21 HD23 ' A' ' 36' ' ' LEU . 1.8 m -99.8 112.64 24.88 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.597 1.186 . . . . 0.0 110.374 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.4 ' O ' ' C ' ' A' ' 50' ' ' ALA . 13.8 m0 -117.34 157.99 25.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 107.981 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.602 ' CG2' ' HB3' ' A' ' 54' ' ' ALA . 7.2 p -156.78 123.14 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 24.1 mt -69.27 112.34 3.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.579 HD23 ' CE2' ' A' ' 30' ' ' TYR . 1.0 OUTLIER -123.6 133.21 53.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.516 ' CE1' ' HB3' ' A' ' 25' ' ' LEU . 0.0 OUTLIER 36.46 40.6 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.609 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.419 ' HB2' ' O ' ' A' ' 26' ' ' HIS . 32.9 m-70 68.36 51.59 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.654 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 25' ' ' LEU . 4.2 ptmt -170.19 126.48 0.81 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.828 HG23 HD11 ' A' ' 76' ' ' ILE . 16.8 m -73.39 141.96 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.133 . . . . 0.0 109.365 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.609 ' CE2' ' HB3' ' A' ' 71' ' ' SER . 3.1 m-30 -117.73 104.89 11.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.45 1.094 . . . . 0.0 111.022 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -74.16 77.14 1.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.236 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.483 HD12 ' HA ' ' A' ' 36' ' ' LEU . 0.8 OUTLIER -94.6 37.74 1.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.273 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.65 HG23 ' O ' ' A' ' 18' ' ' SER . 59.3 m -58.99 -53.21 61.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 110.434 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.06 -38.42 85.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.278 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.563 ' HB2' ' CZ ' ' A' ' 74' ' ' TYR . 74.0 t80 -89.98 17.09 7.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.113 . . . . 0.0 111.014 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.732 HD23 HG21 ' A' ' 21' ' ' THR . 2.2 tm? -72.53 -46.72 53.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 109.257 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.71 -9.83 47.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.26 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -84.15 -21.34 31.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.465 1.103 . . . . 0.0 110.272 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.863 ' CE1' HD21 ' A' ' 46' ' ' LEU . 5.3 t-160 -49.97 124.76 17.25 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.397 1.061 . . . . 0.0 109.58 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.552 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.2 Cg_endo -75.04 -30.61 6.92 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.544 1.813 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.63 -65.99 2.58 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.578 1.174 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -173.98 147.81 9.6 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.423 ' HA ' HD12 ' A' ' 46' ' ' LEU . 22.0 pt-20 -86.5 -11.35 51.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 0.775 . . . . 0.0 110.308 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.483 ' O ' ' N ' ' A' ' 48' ' ' GLU . 14.1 tt0 -93.4 -53.06 4.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.593 1.183 . . . . 0.0 110.332 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.475 HG22 ' CAC' ' A' ' 95' ' ' HEM . 0.2 OUTLIER -39.99 -28.99 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.863 HD21 ' CE1' ' A' ' 39' ' ' HIS . 0.6 OUTLIER -82.94 -61.48 1.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.626 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 30.5 mtm180 -56.49 -54.82 41.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.299 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 44' ' ' GLU . 18.9 tp10 -34.5 -45.23 0.23 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.093 . . . . 0.0 110.351 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -131.76 46.93 2.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.097 . . . . 0.0 110.342 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.626 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -67.07 -91.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.485 1.115 . . . . 0.0 109.346 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 52' ' ' GLY . . . -41.95 -32.22 0.95 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.407 ' O ' ' O ' ' A' ' 51' ' ' GLY . . . -59.6 -142.39 0.01 OUTLIER Glycine 0 CA--C 1.53 1.027 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -128.68 111.24 12.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 0.768 . . . . 0.0 109.311 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.602 ' HB3' ' CG2' ' A' ' 23' ' ' VAL . . . -112.84 25.7 11.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.0 m -52.69 -68.86 0.14 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.381 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -61.35 -38.95 88.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.519 ' O ' HG13 ' A' ' 61' ' ' VAL . 2.2 m120 -62.48 -19.33 63.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.654 ' O ' HG22 ' A' ' 61' ' ' VAL . 0.8 OUTLIER -96.12 -39.97 9.45 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 111.065 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -78.15 -34.56 49.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.538 1.149 . . . . 0.0 110.278 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -59.11 -43.29 91.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.948 HG11 HMD1 ' A' ' 95' ' ' HEM . 6.0 m -69.73 -16.15 20.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 58.01 85.28 0.03 OUTLIER Glycine 0 CA--C 1.532 1.113 0 O-C-N 124.454 1.097 . . . . 0.0 110.933 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.488 ' CE1' ' CG2' ' A' ' 61' ' ' VAL . 31.4 m80 -69.97 139.99 52.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 0.785 . . . . 0.0 109.6 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.5 m -80.08 170.07 16.96 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.144 . . . . 0.0 110.031 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -51.86 -45.67 64.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.406 -179.938 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -41.88 -41.23 2.36 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.478 1.111 . . . . 0.0 109.339 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.69 -45.73 74.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 65' ' ' THR . 0.0 OUTLIER -40.96 -45.8 2.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.326 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -65.61 -55.27 18.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 110.35 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.509 HD23 ' CE1' ' A' ' 35' ' ' TYR . 0.6 OUTLIER -54.88 -67.22 0.29 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.237 -179.93 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.609 ' HB3' ' CE2' ' A' ' 30' ' ' TYR . 56.8 m -30.14 -59.2 0.18 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.536 1.147 . . . . 0.0 109.965 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.11 -57.02 14.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.095 . . . . 0.0 109.293 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.7 OUTLIER -51.89 -31.99 30.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 110.457 179.898 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.563 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 50.6 m-85 -100.1 38.15 1.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 111.035 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.629 HD13 ' H ' ' A' ' 76' ' ' ILE . 0.4 OUTLIER -115.12 139.77 39.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.628 1.205 . . . . 0.0 109.248 -179.897 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.828 HD11 HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -122.25 -38.09 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.107 . . . . 0.0 109.302 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.476 ' N ' HG12 ' A' ' 76' ' ' ILE . . . 177.41 -157.66 22.5 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.499 1.124 . . . . 0.0 111.039 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.443 ' HA ' ' HA ' ' A' ' 28' ' ' LYS . 1.9 pt-20 -126.61 168.43 14.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.777 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 1.068 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -104.8 146.04 29.53 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.565 1.165 . . . . 0.0 109.362 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.614 ' N ' HD22 ' A' ' 79' ' ' LEU . 4.3 t-160 -36.9 105.19 0.29 Allowed Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.53 1.144 . . . . 0.0 109.613 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.408 ' HA ' ' HB2' ' A' ' 84' ' ' ARG . 18.4 Cg_endo -74.94 -7.2 18.99 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.481 1.779 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.552 ' HB2' ' CD2' ' A' ' 80' ' ' HIS . 0.6 OUTLIER -80.08 -31.06 39.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -100.07 -15.83 18.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.346 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.656 ' HG3' HD11 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -61.82 -17.53 56.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.41 1.069 . . . . 0.0 110.296 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 17.9 m -108.43 39.38 2.0 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 110.011 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 28.4 tttt -94.43 -14.69 24.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.8 mp -75.42 -51.41 21.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.33 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 -179.962 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' HEM . . . . . 0.948 HMD1 HG11 ' A' ' 61' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.544 ' CG1' ' CE1' ' A' ' 6' ' ' TYR . 0.3 OUTLIER . . . . . 0 N--CA 1.451 -0.375 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.486 ' HB3' ' CZ ' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -110.47 120.38 42.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.229 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.544 ' CE1' ' CG1' ' A' ' 4' ' ' VAL . 28.1 m-85 -101.0 101.44 12.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 111.026 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.486 ' CZ ' ' HB3' ' A' ' 5' ' ' LYS . 23.2 m-85 -89.72 146.21 24.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.597 1.186 . . . . 0.0 110.978 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 2.2 p -69.85 151.18 46.01 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.501 1.126 . . . . 0.0 110.439 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.537 ' HA ' HD11 ' A' ' 12' ' ' ILE . 0.5 OUTLIER -57.72 -14.73 6.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.572 1.17 . . . . 0.0 109.338 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.428 ' O ' ' HB2' ' A' ' 13' ' ' GLN . 3.0 tt0 -72.39 -42.42 65.21 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.573 1.171 . . . . 0.0 110.275 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.486 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -48.58 -69.62 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.249 -179.928 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.537 HD11 ' HA ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -33.81 -53.09 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.362 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.428 ' HB2' ' O ' ' A' ' 10' ' ' GLU . 15.8 mm-40 -52.24 -53.67 40.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.47 ' N ' ' O ' ' A' ' 11' ' ' GLU . 69.5 mmtt -52.21 -36.34 51.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.471 ' NE2' ' CG ' ' A' ' 11' ' ' GLU . 2.6 m-70 -87.32 58.35 4.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 109.548 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.99 31.67 5.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.434 1.084 . . . . 0.0 109.331 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -143.44 161.51 38.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 109.342 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.742 ' O ' HG23 ' A' ' 33' ' ' THR . 5.1 m -50.14 -48.95 53.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.434 1.084 . . . . 0.0 110.007 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.611 ' O ' HG21 ' A' ' 33' ' ' THR . 0.0 OUTLIER -43.65 -47.27 7.6 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.567 1.167 . . . . 0.0 109.283 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 37.1 p -138.03 99.1 3.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.006 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.702 HG21 HD23 ' A' ' 36' ' ' LEU . 1.6 m -110.82 112.15 23.81 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.433 1.083 . . . . 0.0 110.443 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.419 ' O ' ' C ' ' A' ' 50' ' ' ALA . 10.4 m0 -117.97 161.26 20.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 108.059 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.692 ' CG2' ' HB3' ' A' ' 54' ' ' ALA . 10.9 p -158.42 123.83 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.516 HG13 HG21 ' A' ' 12' ' ' ILE . 32.0 mt -71.54 110.96 4.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.642 HD22 ' CD2' ' A' ' 30' ' ' TYR . 2.3 mp -121.78 132.49 54.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.431 ' O ' ' HB2' ' A' ' 27' ' ' HIS . 24.3 m80 37.27 39.9 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.592 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.538 ' CD2' ' HG2' ' A' ' 84' ' ' ARG . 62.9 m170 68.97 52.22 0.52 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.548 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.519 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 2.7 ptmt -170.03 127.45 0.86 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.85 HG23 HD11 ' A' ' 76' ' ' ILE . 18.3 m -74.68 142.06 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.642 ' CD2' HD22 ' A' ' 25' ' ' LEU . 2.9 m-30 -116.86 106.95 14.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.977 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -73.76 76.15 1.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.342 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.416 HD22 ' HAB' ' A' ' 95' ' ' HEM . 1.1 pp -95.85 39.21 1.14 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.742 HG23 ' O ' ' A' ' 18' ' ' SER . 58.3 m -61.73 -49.59 75.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.409 1.068 . . . . 0.0 110.444 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.67 -37.87 73.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.557 ' CE2' ' C2B' ' A' ' 95' ' ' HEM . 75.7 t80 -90.02 20.37 4.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.12 . . . . 0.0 110.949 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.702 HD23 HG21 ' A' ' 21' ' ' THR . 1.3 tm? -76.98 -47.3 21.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.35 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -89.52 -7.19 55.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.431 1.082 . . . . 0.0 110.309 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.73 -22.42 24.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.239 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.76 ' CE1' HD21 ' A' ' 46' ' ' LEU . 5.4 t-160 -50.08 124.78 17.76 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 0.0 109.603 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.542 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.3 Cg_endo -74.92 -30.95 6.76 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.492 1.785 . . . . 0.0 110.987 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.18 -66.42 2.46 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.459 1.099 . . . . 0.0 111.027 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -173.91 149.65 11.07 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.459 ' HA ' HD12 ' A' ' 46' ' ' LEU . 0.0 OUTLIER -87.72 -19.01 28.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 0.786 . . . . 0.0 110.268 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.504 ' O ' ' N ' ' A' ' 48' ' ' GLU . 2.7 mt-10 -84.8 -53.55 5.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.306 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.45 HG22 ' CAC' ' A' ' 95' ' ' HEM . 0.2 OUTLIER -40.11 -28.83 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 0.0 109.317 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.76 HD21 ' CE1' ' A' ' 39' ' ' HIS . 0.8 OUTLIER -84.75 -61.3 1.82 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.084 . . . . 0.0 109.353 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.488 ' HA ' ' HB2' ' A' ' 50' ' ' ALA . 9.6 mtm180 -57.82 -57.38 13.01 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.336 1.023 . . . . 0.0 110.308 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' A' ' 44' ' ' GLU . 0.7 OUTLIER -34.19 -45.08 0.2 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.289 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -133.57 53.25 2.02 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.475 1.109 . . . . 0.0 110.228 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.488 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -73.01 -91.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.448 ' CA ' ' HB ' ' A' ' 12' ' ' ILE . . . -42.97 -28.71 0.75 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.448 1.092 . . . . 0.0 110.954 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.422 ' O ' ' O ' ' A' ' 51' ' ' GLY . . . -59.86 -136.7 0.01 OUTLIER Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -132.76 110.79 10.62 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.438 0.729 . . . . 0.0 109.303 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.692 ' HB3' ' CG2' ' A' ' 23' ' ' VAL . . . -115.36 16.35 16.76 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.25 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.0 m -49.97 -58.74 4.84 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.132 . . . . 0.0 110.374 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.58 -41.15 80.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.547 1.154 . . . . 0.0 110.284 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.462 ' O ' HG13 ' A' ' 61' ' ' VAL . 2.2 m120 -65.96 -13.36 59.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.798 ' CD1' ' CE1' ' A' ' 63' ' ' HIS . 77.3 t80 -98.76 -40.03 8.35 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 111.031 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -81.09 -35.53 31.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 110.246 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -56.7 -42.63 79.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.951 HG11 HMD1 ' A' ' 95' ' ' HEM . 7.8 m -67.54 -18.52 23.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 62.81 84.02 0.07 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.421 1.076 . . . . 0.0 110.981 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.798 ' CE1' ' CD1' ' A' ' 58' ' ' PHE . 32.6 m80 -71.62 140.07 49.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 0.795 . . . . 0.0 109.63 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.22 169.62 17.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.014 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.44 ' O ' ' N ' ' A' ' 68' ' ' ARG . 1.0 OUTLIER -50.97 -47.41 61.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.465 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 65' ' ' THR . 0.1 OUTLIER -40.67 -42.56 1.75 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 109.324 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.14 -48.16 71.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 65' ' ' THR . 25.6 ttt180 -40.07 -46.66 2.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -64.89 -54.77 25.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 110.275 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.501 HD23 ' CE1' ' A' ' 35' ' ' TYR . 0.9 OUTLIER -54.31 -67.83 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.368 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.585 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 5.0 p -32.82 -57.31 0.37 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.96 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.7 tttt -56.19 -52.44 64.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.463 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -57.35 -31.71 66.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 110.46 179.909 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.552 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 49.8 m-85 -99.64 38.78 1.39 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.44 1.088 . . . . 0.0 111.031 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -115.21 140.61 35.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.85 HD11 HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -122.72 -38.71 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.576 1.172 . . . . 0.0 109.281 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.465 ' N ' HG12 ' A' ' 76' ' ' ILE . . . 175.19 -162.21 31.75 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.469 1.106 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.419 ' O ' ' O ' ' A' ' 5' ' ' LYS . 1.9 mt-10 -122.34 169.7 10.68 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.53 0.782 . . . . 0.0 110.342 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.724 ' C ' HD22 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -104.18 150.25 24.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.35 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.576 ' O ' HD22 ' A' ' 79' ' ' LEU . 0.6 OUTLIER -38.6 109.89 0.53 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.56 -179.927 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.412 ' HA ' ' HB3' ' A' ' 84' ' ' ARG . 18.4 Cg_endo -74.96 0.26 9.1 Favored 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.495 1.787 . . . . 0.0 111.006 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -78.03 -38.13 45.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -88.82 -25.69 22.07 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.538 ' HG2' ' CD2' ' A' ' 27' ' ' HIS . 0.5 OUTLIER -61.35 -29.65 70.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.74 54.7 0.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.981 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -99.95 27.47 5.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.125 . . . . 0.0 109.332 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 1.6 mp -99.05 -59.99 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 109.319 179.986 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' HEM . . . . . 0.951 HMD1 HG11 ' A' ' 61' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.424 ' CG1' ' CE1' ' A' ' 6' ' ' TYR . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.581 ' HB3' ' CE1' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -110.2 121.45 45.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 109.305 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.424 ' CE1' ' CG1' ' A' ' 4' ' ' VAL . 30.5 m-85 -101.04 103.82 14.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.135 . . . . 0.0 111.001 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.581 ' CE1' ' HB3' ' A' ' 5' ' ' LYS . 16.9 m-85 -92.0 146.15 23.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.968 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.421 ' C ' ' N ' ' A' ' 10' ' ' GLU . 1.2 p -71.62 146.6 48.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 110.416 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.562 HD12 HD12 ' A' ' 87' ' ' ILE . 0.4 OUTLIER -52.89 -18.07 1.74 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.444 1.09 . . . . 0.0 109.208 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.439 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 0.2 OUTLIER -70.86 -40.55 72.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 110.277 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.499 ' O ' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -49.04 -71.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.335 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.528 ' H ' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -32.04 -55.12 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 179.905 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.416 ' HB2' ' O ' ' A' ' 10' ' ' GLU . 18.7 mm-40 -48.92 -55.71 10.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.308 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 11' ' ' GLU . 67.9 mmtt -49.43 -35.52 19.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.568 1.167 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.496 ' CA ' ' O ' ' A' ' 20' ' ' SER . 2.7 m-70 -90.98 55.07 2.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.472 1.108 . . . . 0.0 109.57 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.95 25.3 11.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -135.39 164.07 28.6 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.44 1.087 . . . . 0.0 109.324 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.605 ' O ' HG23 ' A' ' 33' ' ' THR . 0.4 OUTLIER -51.62 -50.93 59.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.43 1.081 . . . . 0.0 109.962 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.686 ' O ' HG21 ' A' ' 33' ' ' THR . 12.3 mmtt -39.97 -51.32 2.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.496 ' O ' ' CA ' ' A' ' 15' ' ' HIS . 11.6 m -139.94 101.92 4.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.023 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.9 m -112.17 116.09 29.89 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 110.416 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.42 ' O ' ' C ' ' A' ' 50' ' ' ALA . 10.0 m0 -115.52 163.33 15.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 108.057 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.56 ' CG2' ' HB3' ' A' ' 54' ' ' ALA . 7.6 p -158.41 124.75 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.656 ' O ' HD12 ' A' ' 25' ' ' LEU . 20.1 mt -71.11 121.91 22.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.656 HD12 ' O ' ' A' ' 24' ' ' ILE . 2.2 mp -132.91 133.19 42.92 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.44 ' C ' ' O ' ' A' ' 25' ' ' LEU . 17.3 m80 36.82 39.76 0.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.607 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.462 ' CE1' ' HE ' ' A' ' 84' ' ' ARG . 1.2 m170 69.6 51.36 0.47 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.586 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.569 ' HG2' ' O ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -170.15 131.29 0.99 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.793 HG23 HD11 ' A' ' 76' ' ' ILE . 16.3 m -77.15 142.85 13.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.441 1.088 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.617 ' CD2' HD22 ' A' ' 25' ' ' LEU . 2.5 m-30 -118.27 104.91 11.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.92 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -73.2 80.34 1.29 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 36' ' ' LEU . 0.6 OUTLIER -98.68 28.33 4.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.096 . . . . 0.0 109.307 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.686 HG21 ' O ' ' A' ' 19' ' ' LYS . 69.8 m -50.07 -49.81 50.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.414 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm -68.47 -41.59 79.93 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.589 ' CD2' ' O ' ' A' ' 35' ' ' TYR . 83.1 t80 -89.95 25.51 2.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.797 HD11 HH11 ' A' ' 47' ' ' ARG . 2.0 tm? -82.08 -47.98 11.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.24 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -89.98 -6.76 55.3 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.471 1.107 . . . . 0.0 110.302 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -89.89 -21.58 22.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.306 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.613 ' CE1' HD21 ' A' ' 46' ' ' LEU . 6.3 t-160 -49.97 123.6 15.79 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.606 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.506 ' HD2' ' CD2' ' A' ' 39' ' ' HIS . 18.3 Cg_endo -75.03 -33.05 4.84 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.447 1.761 . . . . 0.0 110.947 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.18 -65.04 3.32 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.514 1.134 . . . . 0.0 111.063 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -174.18 148.68 10.11 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.496 ' HA ' HD12 ' A' ' 46' ' ' LEU . 3.8 pt-20 -88.92 -36.7 15.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 0.775 . . . . 0.0 110.297 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.527 ' O ' ' N ' ' A' ' 48' ' ' GLU . 1.9 mm-40 -67.55 -54.15 22.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.308 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.513 HG22 ' CAC' ' A' ' 95' ' ' HEM . 0.2 OUTLIER -39.89 -29.2 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.439 1.087 . . . . 0.0 109.296 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.613 HD21 ' CE1' ' A' ' 39' ' ' HIS . 1.8 mt -85.28 -58.83 2.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.797 HH11 HD11 ' A' ' 36' ' ' LEU . 76.2 mtm-85 -60.47 -57.92 10.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.432 1.083 . . . . 0.0 110.291 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.527 ' N ' ' O ' ' A' ' 44' ' ' GLU . 39.5 tt0 -33.39 -45.25 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.087 . . . . 0.0 110.268 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -132.55 52.79 2.05 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.47 1.106 . . . . 0.0 110.333 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.512 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . . . -71.79 -92.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.338 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.41 ' CA ' ' HB ' ' A' ' 12' ' ' ILE . . . -39.51 -30.76 0.19 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.49 ' O ' HD12 ' A' ' 24' ' ' ILE . . . -61.16 -141.47 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -131.22 113.8 14.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 0.76 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.56 ' HB3' ' CG2' ' A' ' 23' ' ' VAL . . . -115.31 20.85 14.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.5 m -50.58 -60.05 3.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.335 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.453 ' HA ' ' CG ' ' A' ' 59' ' ' GLU . 16.5 mm-40 -65.25 -42.21 93.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.355 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.426 ' O ' HG13 ' A' ' 61' ' ' VAL . 1.9 m120 -65.68 -12.8 56.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.804 ' CD1' ' CE1' ' A' ' 63' ' ' HIS . 79.4 t80 -99.86 -41.05 7.4 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.448 1.093 . . . . 0.0 111.037 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.453 ' CG ' ' HA ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -81.56 -29.89 33.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 110.302 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.434 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 59.9 t0 -62.11 -41.45 98.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.981 HG11 HMD1 ' A' ' 95' ' ' HEM . 6.4 m -69.9 -17.67 21.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 62.31 85.45 0.05 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.53 1.143 . . . . 0.0 110.966 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.804 ' CE1' ' CD1' ' A' ' 58' ' ' PHE . 36.3 m80 -72.73 140.02 47.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 0.723 . . . . 0.0 109.584 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.1 m -78.72 170.13 17.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.982 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 68' ' ' ARG . 0.9 OUTLIER -52.27 -46.7 65.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.366 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -41.55 -42.04 2.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.3 -46.87 75.47 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.592 1.182 . . . . 0.0 109.302 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 65' ' ' THR . 0.0 OUTLIER -41.32 -44.71 2.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 110.281 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.63 -54.01 27.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 110.291 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.481 ' O ' ' C ' ' A' ' 71' ' ' SER . 0.8 OUTLIER -54.43 -68.52 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.585 ' HB2' ' CE2' ' A' ' 30' ' ' TYR . 2.3 p -31.85 -57.39 0.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 110.028 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.762 ' O ' HG22 ' A' ' 75' ' ' ILE . 0.6 OUTLIER -54.9 -54.6 40.52 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.462 ' N ' ' O ' ' A' ' 70' ' ' LEU . 0.7 OUTLIER -57.2 -30.69 64.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 110.345 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.53 ' CZ ' ' HB2' ' A' ' 35' ' ' TYR . 48.6 m-85 -99.63 39.87 1.28 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.762 HG22 ' O ' ' A' ' 72' ' ' LYS . 5.3 tt -118.7 145.08 25.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.793 HD11 HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -127.17 -38.63 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.267 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.497 ' O ' HG22 ' A' ' 29' ' ' VAL . . . 174.27 -167.7 40.19 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.481 1.113 . . . . 0.0 111.023 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -116.18 170.0 8.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.436 0.727 . . . . 0.0 110.334 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.775 ' C ' HD22 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -107.02 150.46 26.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.562 ' CD2' ' HB2' ' A' ' 82' ' ' ASP . 3.9 t-160 -40.19 104.53 0.33 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.577 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 2.55 6.48 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.49 1.784 . . . . 0.0 111.066 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.562 ' HB2' ' CD2' ' A' ' 80' ' ' HIS . 5.8 t0 -79.51 -34.94 40.79 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.463 1.102 . . . . 0.0 109.358 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.78 14.38 28.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.462 ' HE ' ' CE1' ' A' ' 27' ' ' HIS . 0.3 OUTLIER -59.87 -17.52 37.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.338 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 12.9 t -85.35 -33.84 21.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.98 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.75 36.83 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.267 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.562 HD12 HD12 ' A' ' 9' ' ' LEU . 2.5 tp -94.33 -23.44 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.252 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.244 -179.918 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' HEM . . . . . 0.981 HMD1 HG11 ' A' ' 61' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_