data_1wjm_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 1wjm _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.466 ' HB2' ' CB ' ' A' ' 114' ' ' ALA . 6.0 mm-40 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -94.96 148.84 21.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.478 ' HG2' ' CD2' ' A' ' 108' ' ' TRP . 5.0 ttt -157.49 132.99 9.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 111.005 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.451 ' N ' ' CD ' ' A' ' 11' ' ' GLU . 1.4 pm0 -150.69 132.93 15.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -171.57 175.34 45.07 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.473 ' O ' ' CD1' ' A' ' 14' ' ' LEU . 1.1 mmt -76.89 119.84 21.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 0.748 . . . . 0.0 110.997 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.473 ' CD1' ' O ' ' A' ' 13' ' ' MET . 1.8 mp -138.32 153.99 48.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.428 ' O ' ' HA ' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -94.84 96.24 9.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 108.322 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.572 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 14.4 ttp180 -88.89 120.62 30.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.287 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.514 ' HD2' ' CE2' ' A' ' 32' ' ' TRP . 3.7 tttp -124.5 97.14 5.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.461 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 43.8 tt0 -62.29 109.32 1.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.331 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -94.72 -60.51 1.69 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 110.324 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 3.0 mtp -105.22 130.17 53.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.946 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -98.75 -10.6 22.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.298 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -177.56 166.34 2.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 109.291 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -43.22 123.48 2.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 48.19 27.74 5.59 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.479 1.112 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.494 ' CE ' ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -114.55 126.27 54.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 0.798 . . . . 0.0 109.317 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.494 ' O ' ' CE ' ' A' ' 25' ' ' LYS . 1.6 pttt -86.28 122.49 30.33 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.461 ' CB ' ' HG2' ' A' ' 18' ' ' GLN . . . -53.61 -173.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 29' ' ' ASN . . . -108.65 -75.71 0.63 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 28' ' ' ALA . 13.2 t-20 -39.13 -67.58 0.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 77.6 mtm180 47.44 37.35 6.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.22 134.97 55.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.992 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.514 ' CE2' ' HD2' ' A' ' 17' ' ' LYS . 86.4 m95 -65.29 123.88 20.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.157 . . . . 0.0 108.027 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -147.28 139.5 24.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.306 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -70.6 103.8 2.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.474 ' CG1' ' HB3' ' A' ' 46' ' ' PHE . 21.4 t -119.69 122.51 68.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -72.02 110.55 6.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.574 ' HB3' ' CH2' ' A' ' 108' ' ' TRP . 0.5 OUTLIER -76.82 129.36 36.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 108.288 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.566 HG23 ' CD1' ' A' ' 47' ' ' TYR . 94.0 t -129.11 105.71 13.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.472 HD13 ' CD1' ' A' ' 67' ' ' LEU . 0.8 OUTLIER -97.85 136.16 38.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.24 142.19 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.341 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 60.12 14.45 4.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.296 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 82.73 30.46 32.43 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.46 1.1 . . . . 0.0 110.989 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.79 133.63 40.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 0.77 . . . . 0.0 109.978 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 41.0 tp -95.88 113.86 25.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -101.02 159.28 18.91 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.539 1.15 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.474 ' HB3' ' CG1' ' A' ' 35' ' ' VAL . 52.3 m-85 -124.94 126.53 45.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 0.79 . . . . 0.0 111.03 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.566 ' CD1' HG23 ' A' ' 38' ' ' VAL . 19.8 m-85 -137.38 158.12 45.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.953 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.43 -62.53 1.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -156.04 -175.87 5.66 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.518 1.136 . . . . 0.0 109.232 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.03 -15.09 28.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.424 ' HD2' ' N ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -80.4 -26.69 38.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -96.18 -15.97 21.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.13 -36.59 35.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 45.3 t -83.13 -16.77 45.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.032 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.99 5.07 42.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 53.73 33.64 49.3 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.504 1.128 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 89.5 t -100.32 117.9 62.21 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.461 0.742 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 137.08 21.28 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.49 1.784 . . . . 0.0 111.012 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 17.7 t80 -38.38 -65.26 0.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 111.045 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -125.51 1.59 7.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.585 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 108.0 9.27 28.38 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.462 1.101 . . . . 0.0 110.995 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -73.89 132.75 42.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 0.764 . . . . 0.0 110.308 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -80.86 172.05 10.78 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.355 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 134.73 18.18 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.511 1.795 . . . . 0.0 111.028 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.472 ' HB ' ' CD1' ' A' ' 89' ' ' LEU . 11.4 m -81.21 122.76 36.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.4 p -65.32 128.85 37.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.001 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.472 ' CD1' HD13 ' A' ' 39' ' ' LEU . 6.6 mt -92.97 34.68 1.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.454 ' O ' ' CB ' ' A' ' 69' ' ' ARG . . . -82.65 100.69 10.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.454 ' CB ' ' O ' ' A' ' 68' ' ' ALA . 0.1 OUTLIER 80.37 22.81 0.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.281 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -88.29 158.78 18.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -115.91 142.39 46.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 110.273 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -134.77 111.3 0.91 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 73.4 m -136.73 160.64 38.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 0.764 . . . . 0.0 109.987 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.481 ' CG2' ' HE3' ' A' ' 105' ' ' MET . 53.6 t -67.59 159.96 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 109.274 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 37.6 mttm . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 51.4 65.81 1.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.563 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.469 ' CG2' ' HG3' ' A' ' 98' ' ' GLN . 53.4 t -130.91 140.63 48.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.62 ' CD2' HD23 ' A' ' 109' ' ' LEU . 3.2 p90 -131.87 143.29 50.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.976 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 17.8 ttmt -95.99 131.09 42.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 41.3 tp -114.17 114.29 25.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.349 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -108.39 114.82 4.23 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.536 1.148 . . . . 0.0 111.032 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.472 ' CD1' ' HB ' ' A' ' 65' ' ' VAL . 5.2 mt -73.3 -173.89 1.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 0.786 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -95.09 -17.39 21.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 110.323 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.414 ' HB3' ' NZ ' ' A' ' 93' ' ' LYS . 4.4 t0 -86.49 3.83 42.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.253 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 87.72 24.01 37.18 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.561 1.163 . . . . 0.0 111.015 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.414 ' NZ ' ' HB3' ' A' ' 91' ' ' ASP . 0.0 OUTLIER -96.12 122.36 38.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 0.782 . . . . 0.0 109.306 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -119.7 124.4 46.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.276 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -121.87 154.53 36.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.948 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.422 ' O ' ' O ' ' A' ' 15' ' ' CYS . 16.8 mt -118.94 122.84 43.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.609 ' HB2' ' CZ ' ' A' ' 85' ' ' PHE . 96.4 m-85 -120.38 143.54 48.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.469 ' HG3' ' CG2' ' A' ' 84' ' ' VAL . 29.3 tt0 -119.52 109.45 15.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.11 174.56 7.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.23 -26.41 42.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -164.71 -177.19 4.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -59.79 -27.11 66.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.122 . . . . 0.0 110.286 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.41 -71.69 0.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -40.22 -46.35 2.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.341 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.481 ' HE3' ' CG2' ' A' ' 74' ' ' VAL . 12.0 ttp -61.96 -68.4 0.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.989 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.1 t -44.43 -49.84 9.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 110.023 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.73 -56.15 17.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.971 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.574 ' CH2' ' HB3' ' A' ' 37' ' ' CYS . 24.6 m95 -42.24 -63.9 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.62 HD23 ' CD2' ' A' ' 85' ' ' PHE . 0.8 OUTLIER -43.33 -54.05 4.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 34.5 ttt-85 -53.47 -34.14 56.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.285 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 108' ' ' TRP . 18.8 t -80.58 -59.21 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.142 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.417 ' N ' ' O ' ' A' ' 108' ' ' TRP . 98.9 t -47.47 -36.66 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -72.46 -35.52 68.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.466 ' CB ' ' HB2' ' A' ' 8' ' ' GLU . . . -71.64 -16.44 62.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -93.24 -44.58 8.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 45.2 mt -55.76 -58.17 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.29 -63.24 1.2 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.313 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 110.034 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -97.84 161.95 13.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.475 ' HG2' ' CE2' ' A' ' 108' ' ' TRP . 8.0 ttt -166.9 128.07 1.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.424 1.078 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.417 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 8.6 pt-20 -144.92 125.68 14.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.322 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.01 159.36 32.72 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.517 1.136 . . . . 0.0 110.968 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.486 ' O ' ' CD1' ' A' ' 14' ' ' LEU . 1.9 mmt -58.41 122.39 13.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 0.788 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.486 ' CD1' ' O ' ' A' ' 13' ' ' MET . 1.5 mp -142.34 155.14 45.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.434 ' O ' ' HA ' ' A' ' 97' ' ' PHE . 0.8 OUTLIER -97.03 96.17 8.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 108.289 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.513 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 10.6 ttp180 -88.77 120.42 30.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 110.241 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.483 ' HD2' ' CE2' ' A' ' 32' ' ' TRP . 3.3 tttt -124.25 99.54 6.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.367 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.462 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 17.2 tt0 -61.61 109.42 1.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.347 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -85.46 -61.42 1.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.321 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.409 ' HE3' ' N ' ' A' ' 25' ' ' LYS . 80.2 mmm -118.53 145.66 45.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -103.12 -12.76 17.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -176.16 169.78 2.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.357 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -51.42 120.65 5.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 110.99 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 60.11 14.27 31.48 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.524 1.14 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.479 ' CE ' ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -107.95 129.39 55.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 0.777 . . . . 0.0 109.328 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.479 ' O ' ' CE ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -94.79 142.88 26.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.462 ' CB ' ' HG2' ' A' ' 18' ' ' GLN . . . -67.66 159.75 29.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.22 -75.4 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -63.78 -68.29 0.36 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.425 ' CB ' ' CZ ' ' A' ' 30' ' ' ARG . 1.5 ttm105 65.26 46.58 2.62 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.526 1.141 . . . . 0.0 110.286 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.5 t -120.21 169.27 10.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.974 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.483 ' CE2' ' HD2' ' A' ' 17' ' ' LYS . 77.7 m95 -85.73 128.51 34.81 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -147.28 123.0 10.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 110.304 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -63.94 103.56 0.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.486 ' CG1' ' HB3' ' A' ' 46' ' ' PHE . 61.8 t -121.06 127.12 75.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.401 ' CE2' ' HB2' ' A' ' 11' ' ' GLU . 53.2 t80 -70.73 109.99 5.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 111.0 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.598 ' SG ' ' CE1' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -74.52 131.22 40.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 108.315 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 84.4 t -129.95 105.03 11.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.476 HD12 ' CD1' ' A' ' 67' ' ' LEU . 0.7 OUTLIER -96.49 137.14 36.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -172.96 145.41 1.39 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 110.293 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 50.97 22.4 1.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.329 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 75.63 38.01 38.63 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.478 1.111 . . . . 0.0 111.043 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.9 m -140.81 128.46 21.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 0.757 . . . . 0.0 109.996 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 30.3 tp -91.35 112.95 25.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.35 155.7 18.5 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.489 1.118 . . . . 0.0 110.969 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.589 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 42.7 m-85 -118.56 140.83 49.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 0.77 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.589 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 32.8 m-85 -150.31 167.93 25.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.095 . . . . 0.0 111.005 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.4 ttpt -60.31 -61.39 2.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.256 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -152.98 -176.54 5.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.01 -16.7 62.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.0 mmtt -86.58 -18.72 30.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -94.76 -22.63 17.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.12 -47.77 27.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.243 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.42 -37.12 86.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 110.025 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -78.13 -5.49 51.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 63.25 33.44 87.25 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.486 1.116 . . . . 0.0 110.974 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 86.9 t -97.77 115.96 65.75 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.479 0.752 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 132.11 15.06 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.504 1.791 . . . . 0.0 110.982 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -44.86 -63.88 0.82 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -124.56 43.67 2.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.61 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 52.65 23.85 15.98 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.452 1.095 . . . . 0.0 110.979 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -83.76 160.8 21.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 0.751 . . . . 0.0 110.317 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -104.04 169.02 7.77 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 136.52 20.34 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.481 1.78 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 16.1 m -82.63 123.47 38.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.3 t -66.59 128.07 34.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.024 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.476 ' CD1' HD12 ' A' ' 39' ' ' LEU . 5.4 mt -91.8 36.07 0.96 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.13 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -85.28 111.35 19.79 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 71.86 28.97 2.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 110.312 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -98.71 160.01 14.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -114.22 144.8 42.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 110.337 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -134.54 108.82 0.74 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.498 1.124 . . . . 0.0 110.975 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 69.6 m -135.69 160.97 36.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 0.757 . . . . 0.0 110.008 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.474 ' CG2' ' HE1' ' A' ' 105' ' ' MET . 72.9 t -70.84 160.23 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.256 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.428 ' N ' ' HA ' ' A' ' 85' ' ' PHE . . . . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.349 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 44.7 mttt . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 54.26 59.62 4.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.642 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.409 ' CG2' ' HG3' ' A' ' 98' ' ' GLN . 96.7 t -129.85 137.72 55.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.608 ' CD2' HD23 ' A' ' 109' ' ' LEU . 3.8 p90 -130.4 144.31 51.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 22.6 ttmt -92.25 143.18 26.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 39.8 tp -128.45 105.64 8.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -103.02 114.84 4.99 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.486 1.116 . . . . 0.0 110.973 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.431 ' N ' HD21 ' A' ' 89' ' ' LEU . 4.9 mt -72.92 -172.1 0.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 0.762 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -96.62 -12.18 24.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.3 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -95.7 20.24 10.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.259 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 70.26 31.69 68.87 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.478 1.112 . . . . 0.0 110.957 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.02 114.76 29.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 0.741 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -110.09 130.62 55.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.246 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -124.62 161.35 26.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 111.001 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.423 ' O ' ' O ' ' A' ' 15' ' ' CYS . 19.7 mt -131.25 121.87 25.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.103 . . . . 0.0 109.244 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.602 ' HB2' ' CZ ' ' A' ' 85' ' ' PHE . 96.4 m-85 -122.91 134.66 54.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 0.0 110.974 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.409 ' HG3' ' CG2' ' A' ' 84' ' ' VAL . 27.3 tt0 -108.88 110.18 21.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 110.306 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.18 168.79 18.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 23.5 pttt -74.07 -26.3 60.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -166.76 172.95 9.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -50.29 -36.33 31.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.302 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.79 -70.5 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -40.68 -43.46 1.95 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.343 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.474 ' HE1' ' CG2' ' A' ' 74' ' ' VAL . 11.1 ttp -64.37 -68.5 0.35 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.86 -46.2 3.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.038 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.403 ' O ' ' HB3' ' A' ' 110' ' ' ARG . 0.3 OUTLIER -57.5 -55.89 28.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.046 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.565 ' CH2' ' HB3' ' A' ' 37' ' ' CYS . 27.9 m95 -43.17 -63.35 0.83 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 107.992 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.608 HD23 ' CD2' ' A' ' 85' ' ' PHE . 0.9 OUTLIER -43.44 -52.16 6.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.403 ' HB3' ' O ' ' A' ' 107' ' ' SER . 37.3 ttt180 -55.78 -35.58 66.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.46 HG12 ' CD2' ' A' ' 39' ' ' LEU . 21.2 t -78.69 -58.87 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.164 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.484 ' N ' ' O ' ' A' ' 108' ' ' TRP . 94.9 t -48.14 -38.17 7.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.125 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -71.52 -36.37 71.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 111' ' ' VAL . . . -69.93 -16.22 63.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -93.29 -48.47 6.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 38.8 mt -51.62 -57.84 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -54.22 -60.39 3.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 66.4 p . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.044 179.986 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.441 ' HB2' ' CB ' ' A' ' 114' ' ' ALA . 5.3 mm-40 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -95.56 152.38 18.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 110.292 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.465 ' HG2' ' CH2' ' A' ' 108' ' ' TRP . 8.0 ttt -159.23 128.32 5.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 111.028 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.437 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 13.2 pt-20 -143.47 123.91 13.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.5 154.26 24.64 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.491 1.12 . . . . 0.0 110.962 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.466 ' CE ' ' HA ' ' A' ' 49' ' ' ASP . 0.1 OUTLIER -58.41 123.16 15.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 0.787 . . . . 0.0 110.969 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.442 ' CD1' ' O ' ' A' ' 13' ' ' MET . 1.4 mp -140.57 155.08 46.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.347 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.443 ' O ' ' HA ' ' A' ' 97' ' ' PHE . 0.5 OUTLIER -94.01 95.87 9.32 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 108.308 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.534 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 9.8 ttp180 -88.54 115.83 26.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.503 ' HD2' ' CE2' ' A' ' 32' ' ' TRP . 4.0 tttt -122.92 104.7 9.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.6 ' OE1' ' CE1' ' A' ' 95' ' ' TYR . 7.6 tp60 -65.05 140.11 58.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -124.5 -50.12 1.76 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.449 ' O ' ' NE2' ' A' ' 18' ' ' GLN . 89.5 mmm -128.56 141.44 51.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 110.967 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -106.08 -10.61 16.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.264 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . -178.38 154.57 0.82 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -43.85 111.32 0.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 111.018 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.85 -35.3 3.54 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.505 1.128 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.477 ' CE ' ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -66.06 123.4 19.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 0.744 . . . . 0.0 109.282 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.477 ' O ' ' CE ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -91.78 139.56 30.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.469 ' CB ' ' HG3' ' A' ' 18' ' ' GLN . . . -66.9 125.93 27.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.63 -72.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -106.17 121.93 45.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 43.0 mtm180 -113.04 65.59 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.281 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.1 m -106.56 164.12 12.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.028 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.503 ' CE2' ' HD2' ' A' ' 17' ' ' LYS . 76.1 m95 -92.56 129.65 38.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 108.044 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -145.97 122.05 10.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.302 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -62.39 103.31 0.39 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.475 ' CG1' ' HB3' ' A' ' 46' ' ' PHE . 59.5 t -120.04 126.53 75.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.558 ' CE1' ' HB2' ' A' ' 50' ' ' ALA . 21.0 t80 -70.32 114.28 8.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 111.001 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.567 ' HB3' ' CH2' ' A' ' 108' ' ' TRP . 0.3 OUTLIER -79.37 128.64 33.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 108.29 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 60.1 t -126.93 105.68 14.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.468 HD13 ' CD1' ' A' ' 67' ' ' LEU . 0.8 OUTLIER -97.12 136.74 37.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.095 . . . . 0.0 109.331 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -172.77 140.86 1.01 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 110.25 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 54.95 24.38 5.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 74.02 35.27 54.13 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.567 1.167 . . . . 0.0 110.944 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.3 m -137.69 128.45 27.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 0.775 . . . . 0.0 109.996 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 32.8 tp -92.8 112.23 24.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -104.09 148.81 16.98 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.534 1.146 . . . . 0.0 111.042 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.475 ' HB3' ' CG1' ' A' ' 35' ' ' VAL . 42.3 m-85 -110.58 133.6 53.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 0.79 . . . . 0.0 110.974 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.433 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 33.6 m-85 -141.57 153.15 44.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.423 1.077 . . . . 0.0 111.034 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.0 tptt -44.94 -65.65 0.5 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.466 ' HA ' ' CE ' ' A' ' 13' ' ' MET . 0.2 OUTLIER -151.04 -175.82 5.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 109.327 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.558 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . . . -62.75 -13.56 34.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.436 ' HD2' ' N ' ' A' ' 51' ' ' LYS . 11.5 mptt -82.75 -19.54 37.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -97.55 -26.95 14.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.64 -31.14 70.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.37 -44.73 15.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.021 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.29 -5.96 42.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 63.09 32.94 85.85 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.483 1.114 . . . . 0.0 111.029 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 92.6 t -97.39 119.55 62.7 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.462 0.742 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 134.96 18.54 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.492 1.785 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -45.19 -65.26 0.56 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.943 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -124.81 44.05 2.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.592 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 53.79 20.93 14.28 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.493 1.121 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -84.33 134.99 34.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 0.749 . . . . 0.0 110.261 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -77.65 169.39 21.28 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 141.49 26.67 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.525 1.803 . . . . 0.0 111.011 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 20.7 m -83.75 125.34 40.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.48 124.0 23.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 110.014 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.468 ' CD1' HD13 ' A' ' 39' ' ' LEU . 6.2 mt -87.64 45.41 1.27 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -83.56 120.16 25.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.3 mtt85 57.9 16.66 3.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.341 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -80.34 155.56 27.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.333 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -125.88 142.19 51.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.274 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -127.3 123.95 4.76 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.496 1.123 . . . . 0.0 111.0 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 86' ' ' LYS . 11.6 t -136.39 160.99 37.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 110.027 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.464 ' CG2' ' HE3' ' A' ' 105' ' ' MET . 69.1 t -70.37 157.02 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.987 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 20.5 mttt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 52.43 66.7 1.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.609 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.406 ' CG2' ' HG3' ' A' ' 98' ' ' GLN . 91.9 t -133.65 138.18 51.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.611 ' CD2' HD22 ' A' ' 109' ' ' LEU . 4.8 p90 -130.67 144.37 51.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 73' ' ' SER . 6.4 ttmt -97.06 128.8 44.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 68.2 tp -107.29 101.42 10.8 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.145 . . . . 0.0 109.312 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -93.62 114.58 4.75 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.561 1.163 . . . . 0.0 110.995 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.478 ' HB2' ' CB ' ' A' ' 93' ' ' LYS . 5.6 mt -75.0 175.85 7.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 0.764 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -83.68 -14.98 50.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.311 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -104.29 43.54 1.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 50.06 36.67 28.43 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.486 1.116 . . . . 0.0 111.035 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.478 ' CB ' ' HB2' ' A' ' 89' ' ' LEU . 0.2 OUTLIER -106.86 98.14 7.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 0.778 . . . . 0.0 109.269 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -98.84 138.47 35.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.232 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.6 ' CE1' ' OE1' ' A' ' 18' ' ' GLN . 46.2 m-85 -134.39 151.37 51.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.975 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 15.0 mt -116.16 124.78 51.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.59 ' HB2' ' CZ ' ' A' ' 85' ' ' PHE . 98.5 m-85 -127.43 127.02 43.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.406 ' HG3' ' CG2' ' A' ' 84' ' ' VAL . 32.1 tt0 -103.95 112.0 24.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.254 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -79.86 178.38 8.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.4 ' NZ ' ' HB2' ' A' ' 104' ' ' GLU . 5.1 ptpp? -78.23 -38.19 43.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -157.14 -176.37 5.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -56.94 -41.36 78.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 110.256 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.81 -71.55 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.4 ' HB2' ' NZ ' ' A' ' 100' ' ' LYS . 0.9 OUTLIER -41.59 -43.45 2.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.464 ' HE3' ' CG2' ' A' ' 74' ' ' VAL . 15.7 ttp -66.59 -68.07 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.933 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -41.43 -47.22 3.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.984 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.405 ' O ' ' HB3' ' A' ' 110' ' ' ARG . 0.3 OUTLIER -55.65 -56.03 25.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.002 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.567 ' CH2' ' HB3' ' A' ' 37' ' ' CYS . 26.4 m95 -43.41 -64.2 0.69 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 0.0 107.999 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.611 HD22 ' CD2' ' A' ' 85' ' ' PHE . 1.1 mm? -44.02 -51.08 8.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.405 ' HB3' ' O ' ' A' ' 107' ' ' SER . 43.8 ttt180 -56.58 -36.22 69.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.453 HG12 ' CD2' ' A' ' 39' ' ' LEU . 21.3 t -78.11 -60.08 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.479 ' N ' ' O ' ' A' ' 108' ' ' TRP . 94.3 t -46.44 -38.26 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -71.36 -36.85 71.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 111' ' ' VAL . . . -69.14 -16.37 63.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -93.03 -47.46 6.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 30.6 mt -52.33 -60.27 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -50.32 -63.29 1.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.984 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -104.26 151.58 23.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.577 ' HG2' ' CH2' ' A' ' 108' ' ' TRP . 6.7 ttt -153.5 128.31 9.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.957 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.415 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 11.8 pt-20 -144.66 123.01 12.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.339 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.47 160.87 34.57 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.484 ' O ' ' CD1' ' A' ' 14' ' ' LEU . 2.2 mmt -58.78 124.82 21.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 0.763 . . . . 0.0 110.971 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.484 ' CD1' ' O ' ' A' ' 13' ' ' MET . 1.5 mp -145.22 154.74 42.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.436 ' O ' ' HA ' ' A' ' 97' ' ' PHE . 0.5 OUTLIER -97.77 96.3 8.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 108.307 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.571 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 8.4 ttp180 -88.04 118.56 27.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.317 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.422 ' HD2' ' NE1' ' A' ' 32' ' ' TRP . 5.4 tttt -120.97 100.73 7.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.47 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 44.2 tt0 -67.1 110.02 3.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -85.39 -55.95 3.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.266 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.488 ' CE ' ' O ' ' A' ' 25' ' ' LYS . 86.6 mmm -121.34 160.48 23.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 111.069 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -110.78 -12.34 14.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 110.305 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 173.58 173.47 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -46.72 117.87 1.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 58.14 16.13 25.09 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.488 ' O ' ' CE ' ' A' ' 20' ' ' MET . 0.0 OUTLIER -103.5 126.9 50.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 0.749 . . . . 0.0 109.274 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.71 138.07 32.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 109.348 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.47 ' CB ' ' HG2' ' A' ' 18' ' ' GLN . . . -79.31 138.21 37.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.03 -71.15 0.09 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.46 1.1 . . . . 0.0 109.35 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -112.06 128.76 56.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.333 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.6 mtm180 -119.12 58.78 0.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.271 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.5 m -108.23 161.05 15.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.958 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.422 ' NE1' ' HD2' ' A' ' 17' ' ' LYS . 87.5 m95 -82.44 128.64 34.46 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -142.38 137.25 30.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.264 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 13.8 p-10 -68.18 104.3 1.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.49 ' CG1' ' HB3' ' A' ' 46' ' ' PHE . 24.0 t -126.75 122.02 59.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.447 ' CE1' ' HB1' ' A' ' 50' ' ' ALA . 56.5 t80 -72.19 112.42 8.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 111.039 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.614 ' SG ' ' CE1' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -76.23 131.62 39.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 108.276 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 83.9 t -129.62 105.35 12.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.481 HD12 ' CD1' ' A' ' 67' ' ' LEU . 0.8 OUTLIER -95.73 135.94 36.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -172.32 144.52 1.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 110.313 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.89 20.46 1.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 110.301 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 78.22 31.67 46.26 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.466 1.104 . . . . 0.0 111.014 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 95.3 p -134.0 132.61 40.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 0.78 . . . . 0.0 110.051 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 36.8 tp -94.91 111.5 23.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -101.09 155.83 19.16 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.502 1.127 . . . . 0.0 110.978 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.574 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 41.5 m-85 -118.85 140.14 50.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 0.759 . . . . 0.0 110.997 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.574 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 25.6 m-85 -148.0 166.47 27.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.988 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -58.17 -60.04 4.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -153.49 -175.88 5.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.447 ' HB1' ' CE1' ' A' ' 36' ' ' TYR . . . -65.06 -18.48 65.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.8 mmtp -84.78 -18.33 35.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -95.35 -19.92 19.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.45 -43.59 22.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.7 t -69.53 -27.27 65.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.987 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.1 -4.26 58.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.294 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 64.06 30.3 77.38 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.139 . . . . 0.0 111.016 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 58.2 t -97.96 116.46 65.67 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.506 0.768 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 139.82 24.54 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.487 1.782 . . . . 0.0 110.962 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -47.55 -65.48 0.56 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 111.03 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.5 ' CB ' ' OE2' ' A' ' 62' ' ' GLU . 10.5 m170 -123.28 22.98 9.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.578 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.33 -8.89 59.9 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.484 1.115 . . . . 0.0 111.051 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.5 ' OE2' ' CB ' ' A' ' 60' ' ' HIS . 0.0 OUTLIER -49.85 160.34 0.32 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 0.758 . . . . 0.0 110.26 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -104.44 168.77 8.05 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 137.97 22.4 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.521 1.801 . . . . 0.0 111.023 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.483 ' HB ' ' CD1' ' A' ' 89' ' ' LEU . 28.8 m -83.14 132.64 30.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 89.3 p -75.06 127.53 33.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.988 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.481 ' CD1' HD12 ' A' ' 39' ' ' LEU . 7.0 mt -92.6 30.34 1.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -78.19 114.09 16.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 66.46 21.28 10.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.09 . . . . 0.0 110.324 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.27 168.94 17.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -125.77 135.59 52.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.268 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -130.09 109.13 0.9 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.506 1.129 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 75.1 m -136.48 160.64 38.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 0.764 . . . . 0.0 109.981 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.452 ' CG1' ' HE1' ' A' ' 105' ' ' MET . 91.7 t -68.91 158.62 5.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 -179.959 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.475 ' C ' ' CG ' ' A' ' 83' ' ' HIS . 27.1 mttm . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.475 ' CG ' ' C ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER 58.32 68.46 0.83 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.581 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 72.6 t -132.09 127.01 57.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.61 ' CD2' HD21 ' A' ' 109' ' ' LEU . 11.8 p90 -122.76 142.67 50.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 27.0 ttmt -89.19 149.53 23.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.251 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 50.0 tp -134.03 99.22 4.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -98.35 114.65 5.07 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.483 ' CD1' ' HB ' ' A' ' 65' ' ' VAL . 6.2 mt -76.84 170.16 16.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 0.757 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -75.25 -15.35 60.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.316 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.01 11.34 18.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.097 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 76.35 22.81 72.38 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.524 1.14 . . . . 0.0 110.968 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -92.58 114.2 26.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 0.775 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -107.19 125.22 50.82 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.118 . . . . 0.0 110.263 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -124.84 159.99 29.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.411 ' O ' ' O ' ' A' ' 15' ' ' CYS . 60.1 mt -130.58 118.67 21.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.614 ' CE1' ' SG ' ' A' ' 37' ' ' CYS . 92.9 m-85 -119.17 129.78 55.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.944 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -101.54 109.97 21.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.32 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.408 ' HA ' ' CD1' ' A' ' 14' ' ' LEU . . . -71.27 174.14 6.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.408 ' O ' ' CG ' ' A' ' 101' ' ' ASP . 1.5 pttt -79.06 -24.63 43.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.408 ' CG ' ' O ' ' A' ' 100' ' ' LYS . 7.1 m-20 -171.43 -175.99 1.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -55.83 -46.24 78.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 110.291 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 104' ' ' GLU . . . -55.21 -71.39 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.425 1.078 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 103' ' ' ALA . 0.8 OUTLIER -38.77 -45.02 1.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.321 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.452 ' HE1' ' CG1' ' A' ' 74' ' ' VAL . 12.9 ttp -63.5 -68.03 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.64 -45.4 4.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 110.01 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.26 -52.71 63.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.142 . . . . 0.0 109.997 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.577 ' CH2' ' HG2' ' A' ' 10' ' ' MET . 38.0 m95 -48.13 -67.45 0.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 107.945 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.61 HD21 ' CD2' ' A' ' 85' ' ' PHE . 1.3 mm? -40.34 -50.72 2.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -57.08 -42.13 80.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 110.298 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.47 ' CG1' HD22 ' A' ' 39' ' ' LEU . 16.7 t -72.9 -60.19 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 108' ' ' TRP . 79.6 t -46.16 -38.39 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.407 ' ND2' ' O ' ' A' ' 109' ' ' LEU . 16.9 m-80 -71.07 -37.39 72.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 109.334 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 111' ' ' VAL . . . -69.22 -15.7 63.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -93.34 -44.59 8.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 0.0 109.336 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 49.8 mt -55.35 -59.62 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -49.7 -62.92 1.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.992 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -95.28 148.9 21.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.291 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.526 ' HG2' ' CD2' ' A' ' 108' ' ' TRP . 4.2 ttt -147.97 133.7 18.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.416 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 6.4 pt-20 -145.49 131.32 19.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.574 1.171 . . . . 0.0 110.329 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -172.18 153.44 19.33 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.465 1.103 . . . . 0.0 111.021 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.45 111.86 1.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 0.745 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.452 ' CD1' ' HA ' ' A' ' 99' ' ' ALA . 1.3 mp -128.33 155.16 45.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -92.49 95.41 9.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 0.0 108.3 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.568 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 15.3 ttp180 -88.75 121.95 31.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -124.28 108.18 11.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.257 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.456 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 2.6 tt0 -69.28 118.34 12.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.441 ' O ' ' NE ' ' A' ' 30' ' ' ARG . 4.3 mm-40 -102.02 -55.85 2.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.113 . . . . 0.0 110.299 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 89.3 mmm -121.55 155.34 35.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.411 ' O ' ' CG ' ' A' ' 21' ' ' GLU . 11.7 tt0 -114.15 -11.26 12.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 110.311 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 177.14 169.9 0.56 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -50.21 109.54 0.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 111.022 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.41 -1.01 58.65 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.499 1.124 . . . . 0.0 110.988 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.35 119.7 30.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 0.765 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.2 140.23 29.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.456 ' CB ' ' HG2' ' A' ' 18' ' ' GLN . . . -76.03 127.66 33.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 27' ' ' ALA . . . -39.77 -63.72 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -114.62 119.81 38.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 109.352 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.441 ' NE ' ' O ' ' A' ' 19' ' ' GLU . 12.4 mtp180 -114.29 66.32 0.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.56 1.163 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.6 m -109.01 166.08 11.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.424 1.078 . . . . 0.0 110.046 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.431 ' CH2' ' HB3' ' A' ' 96' ' ' LEU . 73.1 m95 -91.95 129.86 37.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 108.013 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -147.04 124.53 11.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 110.309 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -62.41 103.8 0.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.473 ' CG1' ' HB3' ' A' ' 46' ' ' PHE . 87.7 t -118.93 127.09 75.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -70.19 108.31 4.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.112 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.604 ' SG ' ' CE1' ' A' ' 97' ' ' PHE . 0.5 OUTLIER -77.66 130.17 36.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 108.325 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 44.4 t -127.89 105.32 13.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.476 HD11 ' CD1' ' A' ' 67' ' ' LEU . 0.6 OUTLIER -101.23 142.49 32.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.475 ' O ' ' N ' ' A' ' 42' ' ' GLY . 3.0 tpt180 -134.54 -149.19 0.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.328 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 33.1 ttt180 -64.21 72.77 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 40' ' ' ARG . . . 72.51 56.12 6.31 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 64.8 p -160.44 166.39 29.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 0.746 . . . . 0.0 109.951 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 30.3 tp -150.49 101.14 2.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -103.27 145.92 16.37 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.466 1.104 . . . . 0.0 111.026 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.528 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 62.1 m-85 -104.27 144.82 31.1 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 0.779 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.528 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 20.6 m-85 -144.47 146.05 32.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.579 ' HA ' ' CD2' ' A' ' 59' ' ' TYR . 17.9 ttpt -37.47 -63.46 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.242 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 48' ' ' LYS . 7.4 m-20 -156.34 -175.55 5.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.157 . . . . 0.0 109.331 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.31 -13.7 41.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.0 mmtm -82.86 -25.3 32.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.254 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -90.4 -31.25 16.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.6 -46.4 82.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.4 t -64.64 -29.82 70.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.964 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -92.48 6.91 45.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.256 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 50.73 39.86 39.75 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.504 1.127 . . . . 0.0 111.031 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 93.0 t -107.05 116.58 58.22 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.551 0.795 . . . . 0.0 109.267 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 140.46 25.53 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.442 1.759 . . . . 0.0 110.968 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.579 ' CD2' ' HA ' ' A' ' 48' ' ' LYS . 0.4 OUTLIER -65.28 113.72 4.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 110.98 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 11.4 m170 57.91 16.67 3.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.625 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.13 42.02 52.25 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.493 1.12 . . . . 0.0 110.997 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -87.68 120.64 29.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 0.74 . . . . 0.0 110.298 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -71.23 164.7 54.94 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 161.23 39.18 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.498 1.789 . . . . 0.0 111.035 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 19.1 m -109.56 123.02 65.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.9 m -69.89 124.98 25.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.984 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.476 ' CD1' HD11 ' A' ' 39' ' ' LEU . 14.0 mt -86.01 47.61 1.48 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -85.01 106.37 16.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 13.0 mtm180 70.39 16.12 7.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 110.255 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.403 ' O ' ' CD1' ' A' ' 116' ' ' ILE . . . -80.88 150.75 28.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -132.17 150.39 52.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.284 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -134.32 130.92 5.73 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.508 1.13 . . . . 0.0 110.973 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 86' ' ' LYS . 1.5 t -137.21 154.0 50.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 0.755 . . . . 0.0 109.997 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.467 ' CG2' ' HE2' ' A' ' 105' ' ' MET . 73.8 t -62.53 145.86 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.4 ' N ' HG12 ' A' ' 74' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 25.2 mtpt . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 52.83 68.05 0.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 109.568 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 92.2 t -128.02 131.52 69.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.251 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.594 ' CD2' HD22 ' A' ' 109' ' ' LEU . 6.2 p90 -127.45 145.01 50.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.45 ' CD ' ' HG2' ' A' ' 94' ' ' GLU . 14.7 ttmt -94.64 134.07 37.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 57.2 tp -116.67 105.43 12.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 109.328 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -98.26 115.82 5.39 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.47 1.107 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 5.6 mt -76.05 -174.93 2.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 0.735 . . . . 0.0 109.322 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -88.5 -22.7 23.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 110.316 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -92.17 35.3 1.0 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.271 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 55.28 38.63 68.89 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.556 1.16 . . . . 0.0 111.016 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.78 105.64 15.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 0.775 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.45 ' HG2' ' CD ' ' A' ' 86' ' ' LYS . 0.6 OUTLIER -105.11 125.09 50.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.287 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -120.27 163.52 17.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 111.016 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.431 ' HB3' ' CH2' ' A' ' 32' ' ' TRP . 20.3 mt -128.43 116.19 19.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.16 . . . . 0.0 109.307 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.604 ' CE1' ' SG ' ' A' ' 37' ' ' CYS . 93.1 m-85 -116.97 138.23 51.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 110.97 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -114.34 107.05 15.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.322 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.452 ' HA ' ' CD1' ' A' ' 14' ' ' LEU . . . -70.7 176.34 4.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 8.5 pttt -79.76 -33.88 40.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -157.82 -175.84 5.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.32 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -60.16 -36.55 77.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.57 1.169 . . . . 0.0 110.264 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.96 -71.69 0.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.145 . . . . 0.0 109.269 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -38.58 -45.25 1.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.333 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.467 ' HE2' ' CG2' ' A' ' 74' ' ' VAL . 17.2 ttp -64.35 -67.65 0.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.982 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -40.02 -47.53 2.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.014 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.407 ' O ' ' HB3' ' A' ' 110' ' ' ARG . 0.3 OUTLIER -56.08 -55.17 36.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.993 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.526 ' CD2' ' HG2' ' A' ' 10' ' ' MET . 36.1 m95 -43.53 -68.23 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 108.038 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.594 HD22 ' CD2' ' A' ' 85' ' ' PHE . 2.0 mm? -40.15 -51.93 2.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.407 ' HB3' ' O ' ' A' ' 107' ' ' SER . 35.6 ttp180 -57.05 -42.83 81.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.473 ' O ' ' N ' ' A' ' 114' ' ' ALA . 12.7 t -70.29 -60.11 2.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.463 ' N ' ' O ' ' A' ' 108' ' ' TRP . 71.6 t -44.71 -39.01 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -71.18 -38.42 72.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 111' ' ' VAL . . . -71.96 -21.5 61.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -85.11 -43.37 13.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.248 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.403 ' CG1' ' HB3' ' A' ' 67' ' ' LEU . 22.1 mt -57.59 -60.74 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -45.61 -57.96 3.79 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.558 1.161 . . . . 0.0 109.263 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.3 t . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.126 . . . . 0.0 109.997 -179.986 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.424 ' OE2' ' NH1' ' A' ' 110' ' ' ARG . 3.4 mt-10 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -97.51 149.52 22.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.273 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.51 ' HE3' ' CD1' ' A' ' 108' ' ' TRP . 5.0 ttt -152.97 132.14 12.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 111.029 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.402 ' N ' ' CD ' ' A' ' 11' ' ' GLU . 1.3 pm0 -148.28 130.18 15.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -172.47 160.75 32.11 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.472 1.107 . . . . 0.0 111.039 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.44 ' O ' ' CD1' ' A' ' 14' ' ' LEU . 1.5 mmt -61.12 122.73 15.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 0.801 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.44 ' CD1' ' O ' ' A' ' 13' ' ' MET . 1.5 mp -142.51 154.22 44.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.422 ' O ' ' O ' ' A' ' 96' ' ' LEU . 0.1 OUTLIER -94.54 95.78 9.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.122 . . . . 0.0 108.281 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.486 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 9.3 ttp180 -89.65 119.5 30.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.332 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.413 ' O ' ' CD ' ' A' ' 19' ' ' GLU . 5.2 tttt -124.62 108.7 12.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.501 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 54.1 tt0 -68.27 110.6 4.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.3 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.413 ' CD ' ' O ' ' A' ' 17' ' ' LYS . 26.7 mp0 -84.4 -60.07 2.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.133 . . . . 0.0 110.333 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 80.2 mmm -122.63 150.2 42.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.981 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -103.35 -11.33 17.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 172.91 164.69 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -45.81 108.75 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 111.039 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 88.65 -34.38 3.89 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.542 1.151 . . . . 0.0 111.0 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.402 ' CE ' ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -74.21 127.9 34.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 0.759 . . . . 0.0 109.347 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.402 ' O ' ' CE ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -109.71 138.56 45.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.501 ' CB ' ' HG2' ' A' ' 18' ' ' GLN . . . -55.1 119.86 6.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.56 -54.2 2.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -106.77 118.9 37.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.322 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 50.6 mtm180 -115.53 72.56 0.8 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 110.308 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.405 ' O ' ' OE1' ' A' ' 33' ' ' GLN . 0.1 OUTLIER -120.27 159.1 25.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.016 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 75.3 m95 -88.18 132.05 34.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 108.008 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.405 ' OE1' ' O ' ' A' ' 31' ' ' SER . 6.3 mp0 -146.12 129.53 16.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -66.31 103.85 1.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.091 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.487 ' CG1' ' HB3' ' A' ' 46' ' ' PHE . 41.6 t -119.52 125.1 74.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.565 ' CE2' ' HA ' ' A' ' 50' ' ' ALA . 14.1 t80 -69.26 108.05 3.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.572 ' SG ' ' CE1' ' A' ' 97' ' ' PHE . 0.5 OUTLIER -75.56 129.16 36.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 108.287 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.45 HG23 ' CD1' ' A' ' 47' ' ' TYR . 97.6 t -129.34 105.35 12.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.469 HD12 ' CD1' ' A' ' 67' ' ' LEU . 0.8 OUTLIER -95.81 136.07 36.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -168.67 148.77 4.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.346 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 42.62 29.8 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.328 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 69.38 50.93 29.33 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 58.3 p -153.46 125.25 7.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 0.768 . . . . 0.0 109.993 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 27.5 tp -90.24 109.4 20.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -99.73 147.44 18.25 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.493 1.121 . . . . 0.0 111.013 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.487 ' HB3' ' CG1' ' A' ' 35' ' ' VAL . 41.7 m-85 -111.58 138.24 48.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 0.771 . . . . 0.0 110.971 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.456 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 56.7 m-85 -147.15 164.29 33.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 110.994 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.54 -60.82 2.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -154.7 -177.97 6.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.565 ' HA ' ' CE2' ' A' ' 36' ' ' TYR . . . -62.71 -19.0 63.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 109.297 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.19 -17.7 39.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.331 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -94.52 -35.14 12.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.63 -40.33 92.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.91 -36.86 80.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.042 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -83.1 1.68 39.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 58.12 37.12 85.02 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.454 1.096 . . . . 0.0 111.014 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.7 t -101.14 116.42 63.92 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.484 0.755 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 132.66 15.61 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.505 1.792 . . . . 0.0 110.986 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -44.66 -64.13 0.76 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -124.85 47.39 2.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 109.596 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 50.31 23.48 6.1 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.467 1.105 . . . . 0.0 110.98 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -83.82 158.0 21.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 0.747 . . . . 0.0 110.325 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -102.67 168.79 8.35 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 140.35 25.37 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.518 1.799 . . . . 0.0 111.023 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.1 m -86.61 124.96 40.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.1 p -68.83 127.96 34.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.947 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.469 ' CD1' HD12 ' A' ' 39' ' ' LEU . 5.3 mt -92.14 37.75 0.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -86.68 118.28 25.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 109.331 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 64.45 26.39 13.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.28 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -93.55 169.55 10.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -131.83 140.0 49.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -130.29 117.64 2.33 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.536 1.147 . . . . 0.0 110.997 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 86' ' ' LYS . 15.4 t -134.71 161.39 35.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 0.781 . . . . 0.0 109.994 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.473 ' CG2' ' HE3' ' A' ' 105' ' ' MET . 53.5 t -70.99 158.86 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.368 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 10.6 mttt . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 44.38 63.67 1.58 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.547 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 97.0 t -132.09 138.34 52.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.364 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.608 ' CD2' HD21 ' A' ' 109' ' ' LEU . 4.9 p90 -127.67 149.58 50.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 0.0 110.958 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 73' ' ' SER . 20.9 ttmt -99.45 138.23 36.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 42.0 tp -121.8 107.3 12.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -107.05 114.81 4.44 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.483 1.114 . . . . 0.0 110.986 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.4 mt -76.27 176.27 8.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.572 0.807 . . . . 0.0 109.26 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -81.07 -16.02 54.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.452 1.095 . . . . 0.0 110.256 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.93 11.14 14.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 74.69 26.97 66.02 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.531 1.144 . . . . 0.0 110.996 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.77 114.06 26.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 0.756 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -107.1 134.72 49.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.342 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -133.38 153.16 51.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 111.023 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.422 ' O ' ' O ' ' A' ' 15' ' ' CYS . 33.6 mt -120.4 123.31 42.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.578 ' HB2' ' CZ ' ' A' ' 85' ' ' PHE . 98.7 m-85 -122.07 128.36 51.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.98 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -102.48 111.56 23.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 110.356 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.426 ' HA ' ' CD1' ' A' ' 14' ' ' LEU . . . -75.34 177.18 6.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 101' ' ' ASP . 0.0 OUTLIER -82.06 -25.72 34.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.252 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.42 ' N ' ' HG3' ' A' ' 100' ' ' LYS . 7.0 m-20 -170.15 -176.13 2.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -55.32 -46.75 76.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.318 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.16 -71.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -38.74 -45.86 1.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.323 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.473 ' HE3' ' CG2' ' A' ' 74' ' ' VAL . 13.5 ttp -63.97 -68.18 0.37 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.21 -45.7 5.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 110.053 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.2 -55.1 35.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.984 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.561 ' CH2' ' HB3' ' A' ' 37' ' ' CYS . 34.1 m95 -44.63 -64.98 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 108.015 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.608 HD21 ' CD2' ' A' ' 85' ' ' PHE . 1.1 mm? -42.98 -51.73 5.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.413 1.071 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.424 ' NH1' ' OE2' ' A' ' 8' ' ' GLU . 34.6 ttp85 -56.1 -36.64 68.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.332 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.456 HG11 ' CD2' ' A' ' 39' ' ' LEU . 17.4 t -77.67 -59.77 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.48 ' N ' ' O ' ' A' ' 108' ' ' TRP . 93.4 t -46.33 -38.52 3.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -71.26 -36.47 71.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 111' ' ' VAL . . . -69.87 -15.75 63.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -93.08 -47.15 7.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 109.329 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 35.3 mt -52.88 -61.25 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 109.334 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -46.98 -63.33 1.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 13.6 t . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.045 179.961 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.449 ' N ' ' OE1' ' A' ' 8' ' ' GLU . 3.4 mp0 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -122.87 149.77 43.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.267 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.53 ' HG2' ' CE2' ' A' ' 108' ' ' TRP . 7.2 ttt -155.1 128.9 8.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.425 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 8.7 pt-20 -144.66 123.25 12.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 110.354 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.72 160.74 34.45 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.52 1.137 . . . . 0.0 110.997 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.482 ' O ' ' CD1' ' A' ' 14' ' ' LEU . 1.8 mmt -59.08 124.54 20.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 0.759 . . . . 0.0 111.039 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.482 ' CD1' ' O ' ' A' ' 13' ' ' MET . 1.6 mp -144.12 153.76 42.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -96.69 96.41 8.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 108.284 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.577 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 12.6 ttp180 -87.98 109.46 19.84 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.53 ' HD3' ' CE2' ' A' ' 32' ' ' TRP . 0.1 OUTLIER -116.29 99.93 7.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.482 ' HG3' ' CB ' ' A' ' 27' ' ' ALA . 3.5 tp60 -59.91 140.89 56.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.326 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.445 ' N ' ' OE1' ' A' ' 18' ' ' GLN . 4.5 mm-40 -125.23 -54.56 1.59 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 110.324 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.457 ' CE ' ' O ' ' A' ' 25' ' ' LYS . 1.2 mtp -120.84 137.99 54.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.43 ' O ' ' CG ' ' A' ' 21' ' ' GLU . 9.6 tt0 -100.9 -10.17 20.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . 177.66 166.03 0.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.329 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -47.41 104.99 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.77 -18.58 19.8 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -70.69 116.35 10.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 0.747 . . . . 0.0 109.314 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.88 139.48 31.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.482 ' CB ' ' HG3' ' A' ' 18' ' ' GLN . . . -72.92 130.36 40.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.86 -65.68 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -112.26 123.22 49.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.7 mtm180 -116.97 63.81 0.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.335 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.8 m -104.36 160.31 15.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.53 ' CE2' ' HD3' ' A' ' 17' ' ' LYS . 87.3 m95 -89.38 131.74 35.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 108.021 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -147.35 137.06 22.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.153 . . . . 0.0 110.28 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -69.32 103.72 2.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.125 . . . . 0.0 109.316 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.488 ' CG1' ' HB3' ' A' ' 46' ' ' PHE . 22.0 t -122.69 123.72 68.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.254 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.458 ' CE1' ' HB2' ' A' ' 50' ' ' ALA . 48.5 t80 -74.39 111.14 9.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.085 . . . . 0.0 111.007 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.568 ' HB3' ' CH2' ' A' ' 108' ' ' TRP . 0.1 OUTLIER -76.42 130.61 38.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 108.319 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 72.7 t -127.49 105.78 14.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.48 ' CD1' ' CD1' ' A' ' 67' ' ' LEU . 0.6 OUTLIER -99.17 138.52 36.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.36 145.34 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.254 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 54.29 19.14 2.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.575 1.172 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 76.76 42.29 21.46 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.486 1.117 . . . . 0.0 110.968 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 76.3 p -146.17 127.76 15.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 0.775 . . . . 0.0 110.031 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 35.3 tp -93.02 112.6 24.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.44 158.08 18.13 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.509 1.131 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.588 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 43.9 m-85 -120.68 138.63 53.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 0.76 . . . . 0.0 110.992 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.588 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 29.5 m-85 -149.58 164.37 35.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.96 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.97 -67.03 0.29 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.48 ' HA ' ' CE ' ' A' ' 13' ' ' MET . 0.6 OUTLIER -151.33 -177.7 6.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.458 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . . . -63.11 -13.16 33.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -82.12 -28.02 32.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . -85.8 -48.52 8.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -46.21 -53.8 9.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.6 t -51.41 -47.15 63.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.98 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.44 -34.97 78.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 52' ' ' ALA . . . 92.9 30.54 9.39 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.529 1.143 . . . . 0.0 110.984 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 47.0 t -99.27 123.91 46.9 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.54 0.788 . . . . 0.0 109.332 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 137.32 21.57 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.477 1.777 . . . . 0.0 110.979 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -46.44 -65.53 0.54 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.3 m170 -124.81 50.42 1.74 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.606 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 51.83 20.34 5.99 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -80.02 159.11 26.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 0.748 . . . . 0.0 110.263 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -105.92 168.25 8.51 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 141.28 26.41 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.482 1.78 . . . . 0.0 110.998 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.401 ' HB ' ' CD1' ' A' ' 89' ' ' LEU . 25.2 m -88.51 125.99 41.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.9 p -69.33 129.5 39.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.033 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.48 ' CD1' ' CD1' ' A' ' 39' ' ' LEU . 6.9 mt -92.41 27.53 2.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.9 110.53 8.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.3 mtm180 69.44 17.93 7.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 110.341 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -78.12 158.61 29.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -116.37 125.66 52.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 110.325 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -118.74 113.29 2.54 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.535 1.147 . . . . 0.0 110.954 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -137.22 155.92 48.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 0.755 . . . . 0.0 109.992 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.479 ' HA ' ' CB ' ' A' ' 85' ' ' PHE . 0.9 OUTLIER -77.53 163.91 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.423 ' N ' ' HA ' ' A' ' 85' ' ' PHE . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.262 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.0 mmtt . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 39.63 60.1 1.69 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.602 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 74.4 t -125.01 137.12 58.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.597 ' CD2' HD22 ' A' ' 109' ' ' LEU . 8.6 p90 -126.12 148.59 49.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 111.012 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.9 ttmt -99.5 133.01 44.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 52.4 tp -114.59 110.5 19.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -107.55 114.57 4.29 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.401 ' CD1' ' HB ' ' A' ' 65' ' ' VAL . 6.4 mt -76.0 165.67 24.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 0.786 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -68.56 -26.76 65.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.301 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -75.49 -3.17 32.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 89.57 26.68 24.47 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.499 1.124 . . . . 0.0 110.964 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.66 108.68 20.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 0.767 . . . . 0.0 109.273 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -101.66 116.67 33.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.33 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -116.03 158.85 22.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 111.006 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.424 ' O ' ' O ' ' A' ' 15' ' ' CYS . 14.4 mt -124.93 119.47 28.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.584 ' HB2' ' CZ ' ' A' ' 85' ' ' PHE . 99.6 m-85 -121.65 124.93 45.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -99.02 115.36 28.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -78.46 176.99 8.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.342 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.0 pttt -83.58 -41.24 18.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -150.16 176.9 10.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -52.03 -45.79 64.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.276 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.02 -67.54 0.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -39.39 -47.15 1.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.352 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.445 ' CE ' ' HB ' ' A' ' 74' ' ' VAL . 8.9 ttp -63.3 -68.71 0.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 111.019 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.04 -47.58 4.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.955 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.78 -55.57 28.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.028 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.568 ' CH2' ' HB3' ' A' ' 37' ' ' CYS . 27.4 m95 -44.51 -65.99 0.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 107.996 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.597 HD22 ' CD2' ' A' ' 85' ' ' PHE . 1.1 mm? -42.64 -52.27 4.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 34.5 ttt180 -55.53 -36.64 66.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.273 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.465 ' CG1' HD22 ' A' ' 39' ' ' LEU . 17.3 t -77.42 -58.17 4.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 97.2 t -48.73 -40.69 11.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -70.05 -37.45 75.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -70.27 -15.87 62.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -92.89 -47.39 7.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 25.5 mt -52.28 -61.71 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -53.35 -61.22 2.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.339 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 22.9 m . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 110.028 179.953 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -97.06 142.57 28.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.278 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.561 ' HG2' ' CZ2' ' A' ' 108' ' ' TRP . 8.7 ttt -140.67 132.9 28.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.459 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 14.4 pt-20 -147.72 122.56 9.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.276 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -168.0 161.11 34.87 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.481 ' O ' ' CD1' ' A' ' 14' ' ' LEU . 1.6 mmt -59.11 125.93 25.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 0.766 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.497 ' CD2' ' HB3' ' A' ' 97' ' ' PHE . 1.4 mp -146.12 156.44 43.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.433 ' O ' ' HA ' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -99.16 96.2 7.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 108.289 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.56 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 7.7 ttp180 -88.14 122.48 31.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.252 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.406 ' HD2' ' NE1' ' A' ' 32' ' ' TRP . 2.3 tttt -124.13 105.95 9.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.484 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 6.2 tt0 -67.82 111.84 4.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.255 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -91.72 -59.46 2.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.268 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 74.7 mmm -118.5 156.06 29.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 111.005 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -113.34 -15.72 12.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 110.325 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . -175.82 157.19 1.92 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -41.32 108.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 111.011 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.71 -37.27 3.18 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.49 1.119 . . . . 0.0 110.951 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.476 ' CE ' ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -65.21 124.03 21.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 0.768 . . . . 0.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.476 ' O ' ' CE ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -96.61 139.92 31.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.484 ' CB ' ' HG2' ' A' ' 18' ' ' GLN . . . -65.21 130.19 42.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.59 -66.92 0.27 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 31.8 t30 -104.85 124.67 49.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.365 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 77.7 mtm180 -116.8 75.01 0.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.3 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.4 t -120.13 169.31 10.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.028 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.406 ' NE1' ' HD2' ' A' ' 17' ' ' LYS . 71.7 m95 -96.31 135.65 37.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 108.026 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -147.02 135.81 22.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.301 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -69.17 104.06 2.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.479 ' CG1' ' HB3' ' A' ' 46' ' ' PHE . 40.1 t -124.98 127.26 72.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.44 ' CD2' HG22 ' A' ' 38' ' ' VAL . 54.5 t80 -73.86 111.52 9.08 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.424 1.078 . . . . 0.0 111.031 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.63 ' SG ' ' CE1' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -76.35 129.86 37.24 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 108.296 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.44 HG22 ' CD2' ' A' ' 36' ' ' TYR . 29.4 t -127.29 104.72 12.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.473 HD11 ' CD1' ' A' ' 67' ' ' LEU . 0.7 OUTLIER -101.62 144.56 30.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 0.0 109.251 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 42' ' ' GLY . 2.3 tpt180 -138.51 -148.86 0.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -66.6 71.43 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.107 . . . . 0.0 110.304 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 40' ' ' ARG . . . 75.41 54.81 5.38 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.451 1.094 . . . . 0.0 111.026 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.407 ' O ' ' HA ' ' A' ' 39' ' ' LEU . 62.0 p -159.79 166.01 31.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 0.77 . . . . 0.0 109.987 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 39.6 tp -151.06 100.33 2.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -97.71 156.36 20.6 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.47 1.106 . . . . 0.0 111.01 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.596 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 66.9 m-85 -114.78 138.51 50.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 0.732 . . . . 0.0 111.015 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.596 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 13.3 m-85 -146.87 157.63 43.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.113 . . . . 0.0 110.964 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -48.59 -68.62 0.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.422 ' HA ' ' CE ' ' A' ' 13' ' ' MET . 0.3 OUTLIER -148.97 -174.47 4.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.46 -11.56 44.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.6 mmtm -80.08 -31.46 39.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.38 -41.78 15.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -49.17 -51.96 29.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.6 t -63.94 -26.82 68.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 110.022 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -92.91 11.55 26.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 42.61 36.13 2.25 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.519 1.137 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.0 t -102.55 119.94 54.53 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.445 0.732 . . . . 0.0 109.272 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 133.88 17.1 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.483 1.781 . . . . 0.0 110.971 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -46.72 -65.56 0.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 110.99 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -121.51 43.16 2.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.665 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 51.8 24.92 14.35 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.49 1.118 . . . . 0.0 111.017 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -87.28 136.37 32.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.55 0.794 . . . . 0.0 110.279 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -79.29 170.85 14.31 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 159.3 41.45 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.421 1.748 . . . . 0.0 110.994 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.427 ' HB ' ' CD1' ' A' ' 89' ' ' LEU . 24.6 m -104.78 124.1 59.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.353 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.8 m -68.31 127.31 32.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.986 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.473 ' CD1' HD11 ' A' ' 39' ' ' LEU . 13.4 mt -89.44 43.45 1.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.102 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -88.13 118.06 27.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 64.99 21.53 12.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 110.27 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -92.32 165.53 13.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 109.263 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -138.84 150.36 45.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -133.33 120.79 2.66 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.533 1.146 . . . . 0.0 110.998 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 86' ' ' LYS . 32.7 t -137.77 161.6 36.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 0.764 . . . . 0.0 109.986 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 46.5 t -65.11 160.85 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.35 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 -179.975 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.506 ' C ' ' CG ' ' A' ' 83' ' ' HIS . 34.0 mttp . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.506 ' CG ' ' C ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER 59.23 60.21 2.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.552 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 88.6 t -124.76 129.27 73.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.594 ' CZ ' ' HB2' ' A' ' 97' ' ' PHE . 11.9 p90 -128.28 143.59 51.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.949 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 73' ' ' SER . 27.9 ttmt -90.6 141.61 28.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 45.5 tp -125.0 98.77 5.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -94.61 114.55 4.84 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.479 1.112 . . . . 0.0 110.958 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.427 ' CD1' ' HB ' ' A' ' 65' ' ' VAL . 4.0 mt -72.67 -169.07 0.51 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 0.761 . . . . 0.0 109.26 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -94.94 -17.66 21.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.285 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -96.07 32.05 2.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 59.25 30.48 67.62 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.47 1.106 . . . . 0.0 111.028 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.35 106.03 17.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 0.765 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -101.71 138.16 39.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.422 1.076 . . . . 0.0 110.317 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.51 ' HB3' ' CE2' ' A' ' 97' ' ' PHE . 52.5 m-85 -132.89 160.87 35.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 111.039 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 47.2 mt -131.37 112.08 12.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.63 ' CE1' ' SG ' ' A' ' 37' ' ' CYS . 89.5 m-85 -115.02 125.76 53.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.966 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -99.43 112.26 24.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.29 178.53 4.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.88 -35.03 22.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -153.62 178.7 9.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -57.69 -40.06 78.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.13 . . . . 0.0 110.301 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.93 -66.27 0.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -40.18 -49.28 2.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.322 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.538 ' C ' ' SD ' ' A' ' 105' ' ' MET . 3.0 tmm? -61.14 -71.34 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 111.014 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.512 ' N ' ' SD ' ' A' ' 105' ' ' MET . 56.2 p -34.15 -48.47 0.32 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.981 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.95 -55.54 33.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 110.013 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.571 ' CH2' ' HB3' ' A' ' 37' ' ' CYS . 15.3 m95 -44.54 -51.32 9.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 108.026 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.542 HD22 ' CD2' ' A' ' 85' ' ' PHE . 2.8 mm? -56.83 -50.95 70.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 35.1 ttt85 -57.98 -42.24 84.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 110.309 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.468 ' CG1' HD22 ' A' ' 39' ' ' LEU . 16.0 t -69.22 -60.09 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.24 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 72.1 t -45.07 -40.3 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -70.64 -38.57 73.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 111' ' ' VAL . . . -68.82 -19.08 64.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.457 ' CB ' HD11 ' A' ' 39' ' ' LEU . . . -88.06 -43.02 12.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.097 . . . . 0.0 109.312 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 40.8 mt -54.78 -59.16 2.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -48.84 -59.29 3.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.563 1.165 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 0.0 109.987 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -94.76 152.61 18.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.578 ' HG2' ' CH2' ' A' ' 108' ' ' TRP . 4.9 ttt -151.18 130.76 13.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.444 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 8.3 pt-20 -144.11 122.92 12.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -164.73 153.16 23.23 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.535 1.147 . . . . 0.0 111.005 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.473 ' O ' ' CD1' ' A' ' 14' ' ' LEU . 3.5 tpt -58.54 119.92 7.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 0.798 . . . . 0.0 110.964 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.473 ' CD1' ' O ' ' A' ' 13' ' ' MET . 1.8 mp -139.11 153.05 47.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.428 ' O ' ' HA ' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -94.32 96.63 9.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 108.341 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.561 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 14.3 ttp180 -89.1 123.59 33.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -124.54 94.55 4.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.404 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 25.5 tt0 -61.11 110.31 1.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.454 ' O ' ' NE ' ' A' ' 30' ' ' ARG . 2.5 mm-40 -88.4 -51.75 5.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.404 ' SD ' ' O ' ' A' ' 25' ' ' LYS . 80.7 mmm -125.07 163.49 22.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -115.07 -12.54 11.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 174.59 173.28 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -47.69 118.5 2.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 110.991 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 59.05 14.41 24.49 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.515 1.135 . . . . 0.0 110.95 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.404 ' O ' ' SD ' ' A' ' 20' ' ' MET . 0.0 OUTLIER -101.07 121.59 42.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 0.754 . . . . 0.0 109.298 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -89.16 137.85 31.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 28' ' ' ALA . . . -76.01 138.28 40.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 27' ' ' ALA . . . -39.31 -62.74 0.62 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -133.17 119.23 19.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.454 ' NE ' ' O ' ' A' ' 19' ' ' GLU . 14.7 mtp180 -103.59 66.49 0.87 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.277 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.5 m -104.23 163.91 12.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.992 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 82.4 m95 -84.5 128.4 34.57 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 108.027 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -147.36 123.87 11.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -60.85 102.99 0.22 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.479 ' CG1' ' HB3' ' A' ' 46' ' ' PHE . 44.1 t -120.82 121.48 65.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -69.83 111.16 5.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.538 ' SG ' ' CE1' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -75.18 129.58 37.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 108.328 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.418 ' HB ' ' CE1' ' A' ' 47' ' ' TYR . 45.7 t -126.74 105.27 13.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.476 ' CD1' HD12 ' A' ' 67' ' ' LEU . 0.6 OUTLIER -102.2 144.01 31.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 42' ' ' GLY . 2.7 tpt180 -134.66 -148.36 0.31 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 110.339 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -66.18 69.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.324 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 40' ' ' ARG . . . 77.55 55.98 4.06 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.409 ' O ' ' HA ' ' A' ' 39' ' ' LEU . 60.4 p -160.25 167.24 28.0 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.543 0.79 . . . . 0.0 109.993 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 52.4 tp -150.06 101.07 2.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -101.01 147.68 17.91 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.502 1.126 . . . . 0.0 111.016 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.481 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 67.9 m-85 -106.25 136.15 46.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 0.733 . . . . 0.0 110.961 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.481 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 6.8 m-85 -137.54 166.94 22.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.76 -63.8 1.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -152.63 -174.67 4.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.0 -26.22 67.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -77.56 -14.49 59.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.561 1.163 . . . . 0.0 109.327 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -97.42 -24.94 15.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.43 -40.26 73.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.5 t -70.81 -41.61 71.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.976 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.81 -3.79 33.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 57.97 44.77 94.38 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.548 1.155 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 78.4 t -104.41 105.58 50.36 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.476 0.75 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 128.83 11.78 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.486 1.782 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.409 ' C ' ' N ' ' A' ' 61' ' ' GLY . 5.3 t80 -49.18 117.27 2.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.954 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 11.1 m170 48.81 23.32 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.577 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.409 ' N ' ' C ' ' A' ' 59' ' ' TYR . . . 69.3 31.37 71.55 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.542 1.152 . . . . 0.0 110.959 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -77.11 115.43 16.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 0.775 . . . . 0.0 110.285 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.1 m -65.11 164.89 19.11 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 152.68 40.91 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.55 1.816 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.473 ' HB ' ' CD1' ' A' ' 89' ' ' LEU . 27.3 m -97.69 125.11 50.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 38.9 m -70.67 129.96 40.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.031 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.476 HD12 ' CD1' ' A' ' 39' ' ' LEU . 19.9 mt -91.9 31.88 1.19 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.422 ' O ' ' CB ' ' A' ' 69' ' ' ARG . . . -82.39 108.06 15.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.422 ' CB ' ' O ' ' A' ' 68' ' ' ALA . 3.4 mmp_? 78.38 21.76 0.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 110.316 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -91.81 176.16 6.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.271 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -149.53 148.08 28.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -133.2 128.8 5.2 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 58.1 m -137.51 161.45 36.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 0.749 . . . . 0.0 110.021 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.465 ' CG2' ' CE ' ' A' ' 105' ' ' MET . 54.2 t -80.36 154.83 4.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 179.977 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.483 ' C ' ' CG ' ' A' ' 83' ' ' HIS . 68.8 mttt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.515 ' CG ' ' HA ' ' A' ' 101' ' ' ASP . 0.2 OUTLIER 63.61 55.3 1.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.593 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 59.5 t -122.67 140.41 46.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.594 ' CZ ' ' HB2' ' A' ' 97' ' ' PHE . 10.6 p90 -129.95 136.37 49.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 110.96 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -86.03 153.57 22.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.095 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 55.3 tp -138.83 107.54 5.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 109.31 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -108.71 114.32 4.03 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.527 1.142 . . . . 0.0 110.949 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.473 ' CD1' ' HB ' ' A' ' 65' ' ' VAL . 5.4 mt -74.89 177.23 6.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 0.776 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -81.87 -17.21 48.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.307 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -85.24 8.73 17.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 79.24 21.24 67.87 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.533 1.145 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.41 119.03 29.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.571 0.806 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -110.81 126.05 54.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 110.298 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -124.41 159.19 30.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 13.4 mt -131.41 116.19 17.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.594 ' HB2' ' CZ ' ' A' ' 85' ' ' PHE . 91.4 m-85 -117.98 127.53 53.91 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -98.35 117.18 32.19 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.438 1.086 . . . . 0.0 110.275 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -90.82 150.23 21.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.7 pttp -52.3 -41.29 62.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.515 ' HA ' ' CG ' ' A' ' 83' ' ' HIS . 63.4 m-20 -157.03 169.99 23.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -50.58 -34.86 27.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.38 -63.06 1.35 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -46.04 -54.96 7.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 110.323 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.511 ' HG2' ' CD1' ' A' ' 85' ' ' PHE . 13.6 tmm? -58.61 -63.89 1.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.459 ' C ' ' O ' ' A' ' 105' ' ' MET . 7.9 t -34.92 -42.85 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.971 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.42 ' O ' HG21 ' A' ' 111' ' ' VAL . 0.3 OUTLIER -66.02 -51.48 57.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.041 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.578 ' CH2' ' HG2' ' A' ' 10' ' ' MET . 34.7 m95 -47.98 -63.16 1.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.584 HD21 ' CD2' ' A' ' 85' ' ' PHE . 0.5 OUTLIER -43.51 -50.26 7.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 45.5 ttt180 -56.8 -36.58 70.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.337 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.475 ' CG1' HD21 ' A' ' 39' ' ' LEU . 19.9 t -78.52 -59.11 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.471 ' N ' ' O ' ' A' ' 108' ' ' TRP . 83.8 t -46.65 -36.94 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -72.52 -36.6 68.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 111' ' ' VAL . . . -71.43 -18.9 62.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -88.61 -44.03 10.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.459 1.099 . . . . 0.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 45.2 mt -54.84 -56.92 8.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -53.88 -42.53 68.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.029 179.951 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.25 158.68 15.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.523 ' HG2' ' CZ3' ' A' ' 108' ' ' TRP . 7.2 ttt -155.89 132.08 10.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.443 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 8.0 pt-20 -144.23 125.03 14.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -168.29 157.99 30.49 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.523 1.14 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.483 ' O ' ' CD1' ' A' ' 14' ' ' LEU . 1.9 mmt -58.85 124.53 20.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 0.78 . . . . 0.0 110.986 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.488 ' CD2' ' HB3' ' A' ' 97' ' ' PHE . 1.3 mp -143.84 156.85 44.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 97' ' ' PHE . 0.3 OUTLIER -98.11 96.3 8.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 108.257 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.545 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 10.2 ttp180 -88.62 119.49 29.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.281 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -124.08 97.78 5.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.464 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 20.6 tt0 -64.41 112.36 3.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 110.331 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.467 ' OE2' ' N ' ' A' ' 96' ' ' LEU . 1.9 mp0 -93.25 -46.61 7.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 110.35 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.5 ' CE ' ' O ' ' A' ' 25' ' ' LYS . 91.0 mmm -127.04 154.23 44.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -110.68 -12.72 14.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.329 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 175.88 174.72 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.316 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -48.55 115.31 1.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 61.6 12.25 32.82 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.506 1.129 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.5 ' O ' ' CE ' ' A' ' 20' ' ' MET . 0.0 OUTLIER -96.77 127.71 43.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 0.787 . . . . 0.0 109.248 -179.94 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.4 ptpt -93.86 138.63 31.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.242 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.464 ' CB ' ' HG2' ' A' ' 18' ' ' GLN . . . -78.6 133.49 37.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.44 -69.06 0.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -106.93 121.94 45.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 28.9 mtm180 -115.87 62.57 0.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.329 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.86 158.22 24.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 0.0 109.974 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 85.1 m95 -79.67 132.32 36.19 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -147.16 134.63 20.84 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.52 103.76 1.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.348 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.481 ' CG1' ' HB3' ' A' ' 46' ' ' PHE . 33.2 t -124.46 125.14 69.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.107 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.427 ' CZ ' ' HB2' ' A' ' 50' ' ' ALA . 54.8 t80 -71.82 111.6 7.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.608 ' SG ' ' CE1' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -77.22 127.17 32.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 108.305 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 52.2 t -123.34 105.43 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.242 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.569 ' CD1' ' CD1' ' A' ' 67' ' ' LEU . 0.9 OUTLIER -99.5 144.6 28.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.472 ' O ' ' N ' ' A' ' 42' ' ' GLY . 3.4 tpt180 -144.61 -145.77 0.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 110.323 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.421 ' NH1' ' HB3' ' A' ' 41' ' ' ARG . 5.4 mmm180 -66.0 66.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.357 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 40' ' ' ARG . . . 71.45 50.88 19.0 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.54 1.15 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 79.4 p -160.1 127.09 4.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 0.792 . . . . 0.0 109.945 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 19.6 tp -110.86 105.31 14.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -98.27 145.14 17.64 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.472 1.108 . . . . 0.0 111.038 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.519 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 64.9 m-85 -106.1 137.71 43.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.763 . . . . 0.0 111.035 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.519 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 16.7 m-85 -143.17 167.9 21.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.932 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.5 ttpt -61.09 -55.79 28.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -154.97 -175.31 5.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.427 ' HB2' ' CZ ' ' A' ' 36' ' ' TYR . . . -67.83 -17.71 64.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.0 mmtp -84.01 -22.28 31.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -90.63 -26.42 19.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.466 ' HA ' ' CD2' ' A' ' 47' ' ' TYR . . . -73.26 -42.15 62.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.13 -39.38 89.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.981 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.53 -4.31 45.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.328 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 65.82 29.44 75.07 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.553 1.158 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 46.8 t -96.5 116.57 66.2 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.497 0.763 . . . . 0.0 109.292 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 140.96 26.08 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.484 1.781 . . . . 0.0 111.016 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -43.06 -64.58 0.61 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.999 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -129.18 5.43 5.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.593 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 97.69 7.79 56.39 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.49 1.119 . . . . 0.0 110.984 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.44 ' O ' ' O ' ' A' ' 63' ' ' VAL . 54.6 mt-10 -70.36 100.61 1.77 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 0.754 . . . . 0.0 110.319 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.44 ' O ' ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -42.94 166.99 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 163.27 35.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.527 1.804 . . . . 0.0 110.955 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 19.4 m -107.46 122.87 62.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.351 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 13.6 t -58.79 136.78 57.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.992 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.569 ' CD1' ' CD1' ' A' ' 39' ' ' LEU . 90.2 mt -104.3 50.43 0.79 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.44 ' O ' ' O ' ' A' ' 67' ' ' LEU . . . -57.82 -114.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.0 mmt180 -84.72 14.83 4.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.316 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -43.64 165.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -123.21 146.69 47.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.279 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.491 ' C ' ' CD1' ' A' ' 109' ' ' LEU . . . -133.7 108.82 0.76 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.544 1.153 . . . . 0.0 110.981 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.5 t -132.4 160.21 37.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 0.755 . . . . 0.0 110.036 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.49 ' CG2' ' HE2' ' A' ' 105' ' ' MET . 49.9 t -74.33 154.19 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.431 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 26.2 mttt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 52.4 68.4 0.83 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 109.586 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.461 ' CG2' ' HG3' ' A' ' 98' ' ' GLN . 82.0 t -138.5 137.86 43.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.617 ' CD2' HD21 ' A' ' 109' ' ' LEU . 3.6 p90 -128.99 149.0 51.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.9 125.62 44.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 36.2 tp -107.68 112.12 24.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.263 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -110.1 115.71 4.21 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.467 1.104 . . . . 0.0 111.021 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.406 ' N ' HD22 ' A' ' 89' ' ' LEU . 6.7 mt -73.5 -173.0 1.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 0.751 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -93.71 -1.24 55.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.266 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -108.06 22.34 16.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.088 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 67.37 28.13 73.61 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.546 1.154 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.74 105.45 16.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 0.78 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -100.43 143.57 30.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.443 ' HB3' ' CE2' ' A' ' 97' ' ' PHE . 65.4 m-85 -136.21 158.24 44.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 111.023 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.467 ' N ' ' OE2' ' A' ' 19' ' ' GLU . 27.2 mt -126.72 120.56 29.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.608 ' CE1' ' SG ' ' A' ' 37' ' ' CYS . 94.4 m-85 -124.86 137.07 54.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.461 ' HG3' ' CG2' ' A' ' 84' ' ' VAL . 10.3 tt0 -112.16 114.1 26.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.269 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.416 ' HA ' ' CD1' ' A' ' 14' ' ' LEU . . . -81.27 169.78 16.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.0 pttt -64.76 -34.17 77.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -165.99 -179.44 5.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.336 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -52.63 -35.61 54.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 110.26 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.21 -70.62 0.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.099 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -46.4 -44.63 17.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.49 ' HE2' ' CG2' ' A' ' 74' ' ' VAL . 14.2 ttp -63.26 -68.53 0.33 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 111.02 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 37.0 t -41.72 -44.68 3.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.001 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 108' ' ' TRP . 0.3 OUTLIER -57.12 -55.22 37.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 1.17 . . . . 0.0 109.995 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.523 ' CZ3' ' HG2' ' A' ' 10' ' ' MET . 37.4 m95 -41.28 -65.62 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 108.024 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.617 HD21 ' CD2' ' A' ' 85' ' ' PHE . 1.0 OUTLIER -41.58 -56.99 2.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 42.3 ttt-85 -50.48 -36.45 33.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.426 1.079 . . . . 0.0 110.28 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.474 ' CG1' HD22 ' A' ' 39' ' ' LEU . 7.3 t -78.35 -59.85 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 69.5 t -46.76 -43.14 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.321 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -67.04 -37.07 83.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 111' ' ' VAL . . . -66.04 -18.83 65.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -91.04 -38.39 12.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 17.5 mt -69.11 -36.63 74.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.04 -47.91 64.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 109.978 179.979 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -98.06 151.69 20.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.291 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.568 ' HG2' ' CH2' ' A' ' 108' ' ' TRP . 7.6 ttt -154.54 127.37 8.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.951 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.413 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 6.9 pt-20 -143.25 124.96 14.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.16 161.32 34.92 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.481 1.113 . . . . 0.0 111.033 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.479 ' O ' ' CD1' ' A' ' 14' ' ' LEU . 1.8 mmt -59.44 125.66 24.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 0.789 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.479 ' CD1' ' O ' ' A' ' 13' ' ' MET . 1.4 mp -145.53 154.69 42.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.441 ' O ' ' HA ' ' A' ' 97' ' ' PHE . 0.5 OUTLIER -96.53 95.48 8.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 108.285 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.575 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 8.9 ttp180 -87.95 119.97 28.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.42 ' HD2' ' NE1' ' A' ' 32' ' ' TRP . 0.7 OUTLIER -123.94 108.37 12.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.482 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 45.8 tt0 -70.01 111.52 5.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.332 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -87.97 -46.19 9.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.325 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 85.9 mmm -137.64 141.99 41.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -100.1 -10.67 21.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.301 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -179.91 174.46 0.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -52.98 119.74 5.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 59.84 15.38 34.45 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.5 ' CE ' ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -109.28 123.99 50.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 0.749 . . . . 0.0 109.286 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.5 ' O ' ' CE ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -87.13 149.14 24.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.482 ' CB ' ' HG2' ' A' ' 18' ' ' GLN . . . -67.5 153.0 44.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 109.345 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -43.16 -80.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -83.01 -53.6 5.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.09 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.423 ' CG ' ' O ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER 72.19 47.89 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.312 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.1 p -120.59 166.35 13.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.038 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.42 ' NE1' ' HD2' ' A' ' 17' ' ' LYS . 82.0 m95 -82.67 128.42 34.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 108.04 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -142.83 133.46 25.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.297 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -66.85 103.59 1.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 109.311 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.468 ' CG1' ' HB3' ' A' ' 46' ' ' PHE . 38.4 t -125.74 127.31 71.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.459 ' CE2' HG21 ' A' ' 38' ' ' VAL . 59.5 t80 -74.8 114.31 13.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 110.988 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.603 ' SG ' ' CE1' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -78.36 132.98 37.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 108.29 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.459 HG21 ' CE2' ' A' ' 36' ' ' TYR . 87.1 t -132.43 105.59 9.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.483 ' CD1' ' CD1' ' A' ' 67' ' ' LEU . 0.8 OUTLIER -96.21 135.53 37.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -169.08 139.34 2.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.257 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 51.25 28.81 4.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.322 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 70.82 45.23 53.35 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 95.4 p -146.7 123.21 11.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 0.781 . . . . 0.0 109.978 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 32.2 tp -89.87 111.38 22.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.67 154.02 19.27 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.512 1.133 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.478 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 31.4 m-85 -116.06 133.9 55.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.772 . . . . 0.0 111.018 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.478 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 34.3 m-85 -144.66 161.56 38.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.965 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.62 -67.67 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -152.23 -175.78 5.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.2 -13.84 31.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -79.98 -30.96 39.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.153 . . . . 0.0 109.278 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . -84.58 -54.65 4.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -41.26 -48.68 3.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.12 -43.33 99.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 110.023 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 52' ' ' ALA . . . -76.66 -1.42 27.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.156 . . . . 0.0 109.26 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 52' ' ' ALA . . . 58.45 36.04 82.47 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.486 1.116 . . . . 0.0 110.95 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 91.8 t -103.23 122.3 45.75 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.51 0.771 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 133.41 16.59 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.495 1.787 . . . . 0.0 110.979 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -47.67 -65.17 0.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 111.026 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -120.1 40.36 3.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 109.587 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 54.87 22.11 25.74 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.46 1.1 . . . . 0.0 110.981 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -87.13 136.18 33.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 0.76 . . . . 0.0 110.344 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -79.88 171.74 11.64 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 144.9 30.75 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 0.0 111.028 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 16.6 m -90.13 126.74 42.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.4 m -69.66 124.75 24.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.022 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.483 ' CD1' ' CD1' ' A' ' 39' ' ' LEU . 6.2 mt -88.89 43.01 1.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -88.27 122.31 31.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 59.43 22.34 10.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -84.66 170.66 13.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.577 1.173 . . . . 0.0 109.341 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -130.23 139.44 50.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.344 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -135.41 110.53 0.83 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.471 1.107 . . . . 0.0 111.009 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.2 t -137.92 161.29 37.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 0.778 . . . . 0.0 109.999 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.466 ' CG2' ' HE3' ' A' ' 105' ' ' MET . 36.0 t -65.01 147.25 12.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 -179.987 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.429 ' C ' ' CG ' ' A' ' 83' ' ' HIS . 31.3 mttt . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.429 ' CG ' ' C ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER 49.96 67.27 0.93 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.414 1.071 . . . . 0.0 109.62 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.466 ' CG2' ' HG3' ' A' ' 98' ' ' GLN . 87.6 t -130.32 128.25 63.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.582 ' CD2' HD21 ' A' ' 109' ' ' LEU . 14.5 p90 -126.76 143.49 51.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 13.2 ttmt -89.78 149.88 22.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 46.3 tp -134.04 98.84 4.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -95.46 114.37 4.86 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.8 mt -72.75 -168.24 0.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 0.761 . . . . 0.0 109.314 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -98.43 -13.17 20.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.267 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -99.54 29.1 4.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 62.09 33.34 85.45 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.463 1.102 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.67 107.92 19.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 0.779 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -104.55 135.01 46.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 110.282 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 -132.58 156.12 47.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.421 ' O ' ' O ' ' A' ' 15' ' ' CYS . 55.6 mt -126.39 120.54 30.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.603 ' CE1' ' SG ' ' A' ' 37' ' ' CYS . 95.9 m-85 -119.38 121.18 38.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 110.975 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.466 ' HG3' ' CG2' ' A' ' 84' ' ' VAL . 31.1 tt0 -95.85 103.83 15.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 110.331 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -64.95 179.49 0.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 109.31 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.7 pttt -86.09 -34.18 20.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -155.15 177.06 11.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.259 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -53.66 -49.89 66.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 110.288 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' A' ' 104' ' ' GLU . . . -52.19 -67.72 0.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 103' ' ' ALA . 1.0 OUTLIER -37.19 -51.58 1.02 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.264 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.535 ' C ' ' SD ' ' A' ' 105' ' ' MET . 3.6 tmm? -58.16 -71.79 0.1 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 111.04 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.533 ' N ' ' SD ' ' A' ' 105' ' ' MET . 0.4 OUTLIER -35.24 -49.06 0.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.986 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.59 -53.3 59.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.021 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.579 ' CH2' ' HB3' ' A' ' 37' ' ' CYS . 22.0 m95 -49.08 -49.49 41.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 108.005 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.582 HD21 ' CD2' ' A' ' 85' ' ' PHE . 2.5 mm? -58.39 -48.12 81.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 38.7 ttt180 -60.32 -41.4 93.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.276 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.469 ' CG1' HD21 ' A' ' 39' ' ' LEU . 17.8 t -70.92 -58.22 5.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 73.7 t -49.86 -35.54 10.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.435 ' ND2' ' O ' ' A' ' 109' ' ' LEU . 13.0 m-80 -72.12 -38.34 69.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.52 -17.65 64.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -91.13 -44.45 9.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 46.0 mt -56.51 -58.51 5.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -53.57 -60.31 3.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.1 t . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.986 -179.978 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.433 ' N ' ' OE1' ' A' ' 8' ' ' GLU . 7.2 mp0 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -99.91 160.42 14.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 110.336 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.505 ' HE2' ' CD1' ' A' ' 108' ' ' TRP . 7.1 ttt -166.2 129.54 2.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 111.02 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -144.35 132.94 22.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -172.21 171.28 44.13 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.463 1.102 . . . . 0.0 110.983 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.466 ' O ' ' CD1' ' A' ' 14' ' ' LEU . 1.0 OUTLIER -72.87 120.43 18.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 110.998 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.466 ' CD1' ' O ' ' A' ' 13' ' ' MET . 1.5 mp -140.63 155.47 46.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.463 ' O ' ' HA ' ' A' ' 97' ' ' PHE . 0.3 OUTLIER -95.71 95.47 8.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 108.281 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.568 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 12.0 ttp180 -87.33 119.36 27.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.325 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.1 tttt -122.73 94.97 4.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.474 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 9.7 tt0 -59.21 109.56 0.89 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 110.245 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -90.53 -54.11 4.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.276 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 7.2 mtp -117.55 142.53 47.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -111.18 -15.78 13.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 110.323 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.49 ' HA ' ' O ' ' A' ' 92' ' ' GLY . . . -169.94 164.67 9.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -45.63 121.16 2.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 111.039 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 53.6 19.32 9.27 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.459 1.1 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.45 ' CB ' ' HB3' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -110.71 125.94 54.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 0.737 . . . . 0.0 109.332 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.428 ' O ' ' CE ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -92.84 137.54 32.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.474 ' CB ' ' HG2' ' A' ' 18' ' ' GLN . . . -71.21 140.3 50.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 27' ' ' ALA . . . -40.12 -78.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.0 p-10 -90.38 134.83 34.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.8 mtm180 -128.18 54.24 1.75 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.311 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.6 m -108.24 160.04 16.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.999 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.423 ' CH2' ' HB3' ' A' ' 96' ' ' LEU . 85.7 m95 -83.58 133.13 34.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 107.989 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -146.34 133.41 20.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -65.94 103.71 0.98 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.47 ' CG1' ' HB3' ' A' ' 46' ' ' PHE . 80.2 t -120.93 129.72 75.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.414 ' CE2' ' HA ' ' A' ' 50' ' ' ALA . 6.5 t80 -76.22 109.77 10.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.974 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.61 ' SG ' ' CE1' ' A' ' 97' ' ' PHE . 0.5 OUTLIER -76.92 132.94 39.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 108.339 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 70.0 t -133.84 105.63 7.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.47 HD11 ' CD1' ' A' ' 67' ' ' LEU . 0.7 OUTLIER -98.01 137.71 36.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -170.19 146.2 2.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.294 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.431 ' HB2' ' NH1' ' A' ' 41' ' ' ARG . 0.6 OUTLIER 42.9 30.53 0.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 110.313 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 69.27 54.78 11.97 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.517 1.135 . . . . 0.0 111.001 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -157.52 124.17 4.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 0.74 . . . . 0.0 109.989 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 27.2 tp -91.39 121.5 33.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -109.59 155.68 15.97 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.548 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 37.7 m-85 -122.41 136.99 55.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 0.762 . . . . 0.0 111.013 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.548 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 17.0 m-85 -146.36 152.73 39.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -40.59 -58.45 1.6 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.421 ' HA ' ' CE ' ' A' ' 13' ' ' MET . 2.4 m-20 -162.05 -173.45 3.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.414 ' HA ' ' CE2' ' A' ' 36' ' ' TYR . . . -63.85 -13.03 41.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.16 -19.14 30.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -97.37 -17.62 19.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.23 -38.38 63.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.57 -40.41 76.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 110.014 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -81.63 -7.7 59.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 62.7 49.57 71.91 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.457 1.098 . . . . 0.0 111.012 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 96.5 t -103.47 106.42 51.76 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.761 . . . . 0.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 128.68 11.68 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.513 1.796 . . . . 0.0 111.001 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -47.9 115.48 1.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.978 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 12.0 m170 50.63 22.13 1.03 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.608 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.67 33.9 50.57 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -85.71 127.42 34.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 0.775 . . . . 0.0 110.268 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -81.85 170.92 13.35 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.427 1.08 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 147.16 33.63 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.459 1.768 . . . . 0.0 111.027 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 19.6 m -90.04 125.63 42.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.3 p -69.21 127.04 31.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.006 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.47 ' CD1' HD11 ' A' ' 39' ' ' LEU . 12.9 mt -89.56 41.97 1.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -84.76 111.32 19.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.9 mtm180 70.28 18.44 6.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.317 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.412 ' CB ' ' HA ' ' A' ' 89' ' ' LEU . . . -83.06 172.32 12.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -150.07 133.79 16.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -112.51 116.79 4.15 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.486 1.116 . . . . 0.0 111.021 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.2 t -123.2 159.71 28.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 0.776 . . . . 0.0 110.011 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.492 ' CG2' ' HE1' ' A' ' 105' ' ' MET . 82.8 t -87.33 154.15 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 -179.959 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 34.8 mttt . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 53.1 64.77 1.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.572 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.472 ' CG2' ' HG3' ' A' ' 98' ' ' GLN . 62.6 t -128.82 136.55 59.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.633 ' CZ ' ' HB2' ' A' ' 97' ' ' PHE . 19.1 p90 -127.04 139.97 52.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.442 ' CB ' HD21 ' A' ' 96' ' ' LEU . 26.5 ttmt -91.9 118.48 30.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.105 . . . . 0.0 109.246 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.414 HD22 ' CE2' ' A' ' 97' ' ' PHE . 35.3 tp -94.73 98.6 10.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.276 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -97.8 113.62 4.77 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.567 1.167 . . . . 0.0 111.003 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.412 ' HA ' ' CB ' ' A' ' 70' ' ' ALA . 16.7 mt -68.45 -130.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 0.766 . . . . 0.0 109.268 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.586 ' O ' ' CB ' ' A' ' 91' ' ' ASP . 2.7 pt20 -86.61 23.89 1.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.324 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.586 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 5.6 t0 88.71 -19.79 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.49 ' O ' ' HA ' ' A' ' 22' ' ' ALA . . . -89.16 9.93 74.99 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.509 1.131 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.4 ' NZ ' ' HB2' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -166.33 130.69 2.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 0.767 . . . . 0.0 109.279 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -142.24 119.72 11.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.317 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -115.94 165.52 13.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.442 HD21 ' CB ' ' A' ' 86' ' ' LYS . 13.0 mt -129.49 108.41 10.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.633 ' HB2' ' CZ ' ' A' ' 85' ' ' PHE . 98.5 m-85 -107.51 138.91 42.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.472 ' HG3' ' CG2' ' A' ' 84' ' ' VAL . 35.7 tt0 -113.48 99.98 8.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 110.294 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -58.56 175.63 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.39 -23.47 30.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -170.1 -176.56 2.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -56.62 -39.09 73.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.296 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.84 -71.49 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -40.93 -43.35 2.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 110.293 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.492 ' HE1' ' CG2' ' A' ' 74' ' ' VAL . 8.9 ttp -63.13 -68.95 0.3 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.7 t -45.3 -50.95 11.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.986 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.415 ' O ' ' HB3' ' A' ' 110' ' ' ARG . 0.3 OUTLIER -49.59 -59.07 4.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 110.04 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.579 ' CH2' ' HB3' ' A' ' 37' ' ' CYS . 24.0 m95 -42.95 -64.36 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 107.996 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.612 HD22 ' CD2' ' A' ' 85' ' ' PHE . 1.0 OUTLIER -44.18 -50.56 8.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.415 ' HB3' ' O ' ' A' ' 107' ' ' SER . 19.0 ttp85 -57.27 -34.96 69.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 110.296 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.452 HG12 ' CD2' ' A' ' 39' ' ' LEU . 23.1 t -78.84 -59.67 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 92.4 t -46.6 -38.71 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -71.33 -37.13 71.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 111' ' ' VAL . . . -68.15 -17.35 64.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -92.16 -45.9 8.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 29.0 mt -55.95 -62.26 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -49.19 -63.15 1.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.14 . . . . 0.0 109.23 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 6.3 t . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.996 -179.933 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.439 ' CG ' ' HA ' ' A' ' 40' ' ' ARG . 7.6 mp0 -98.41 144.89 27.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.256 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.53 ' HG2' ' CZ2' ' A' ' 108' ' ' TRP . 7.1 ttt -143.35 128.07 18.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.447 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 8.2 pt-20 -142.07 124.41 15.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 110.264 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.44 159.72 32.68 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.539 1.149 . . . . 0.0 111.005 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.493 ' O ' ' CD1' ' A' ' 14' ' ' LEU . 1.8 mmt -58.49 124.44 19.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 0.795 . . . . 0.0 111.033 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.494 ' CD2' ' HB3' ' A' ' 97' ' ' PHE . 1.5 mp -145.64 154.77 42.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.449 ' O ' ' HA ' ' A' ' 97' ' ' PHE . 0.5 OUTLIER -97.35 97.14 8.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 108.328 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.562 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 15.6 ttp180 -87.44 120.1 28.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 110.265 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.516 ' HD2' ' CE2' ' A' ' 32' ' ' TRP . 6.0 tttt -124.86 97.92 5.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.484 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 14.2 tt0 -59.06 109.28 0.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.269 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -85.94 -48.36 8.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 72.6 mmm -130.49 148.84 52.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 111.013 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.4 ' O ' ' CG ' ' A' ' 21' ' ' GLU . 7.1 tt0 -106.49 -11.62 15.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.316 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . 176.98 158.89 0.35 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -39.9 109.02 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 110.941 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.01 -39.21 3.1 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.514 1.134 . . . . 0.0 111.034 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -68.04 126.34 29.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 0.73 . . . . 0.0 109.327 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.41 ' N ' ' HE3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -105.6 139.6 39.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.484 ' CB ' ' HG2' ' A' ' 18' ' ' GLN . . . -56.38 135.83 53.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.085 . . . . 0.0 109.251 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.99 -67.45 0.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.107 . . . . 0.0 109.319 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -54.33 -66.77 0.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.346 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 52.12 50.46 18.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 110.29 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 66.0 m -119.7 167.12 12.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.979 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.516 ' CE2' ' HD2' ' A' ' 17' ' ' LYS . 86.6 m95 -88.74 127.53 35.6 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -146.95 135.63 22.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -68.78 103.74 1.85 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.492 ' CG1' ' HB3' ' A' ' 46' ' ' PHE . 23.5 t -125.06 124.01 66.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.539 ' CE1' ' HB1' ' A' ' 50' ' ' ALA . 57.3 t80 -72.68 111.76 8.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.625 ' SG ' ' CE1' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -76.82 131.44 38.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 108.327 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.455 HG22 ' CD2' ' A' ' 36' ' ' TYR . 19.0 t -128.88 105.01 12.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.45 HD21 ' CG1' ' A' ' 111' ' ' VAL . 0.7 OUTLIER -101.32 144.07 30.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 0.0 109.276 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 42' ' ' GLY . 1.5 tpt180 -137.83 -149.04 0.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.315 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 65.7 mtt85 -65.86 71.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 110.306 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 40' ' ' ARG . . . 74.8 55.38 5.4 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.416 ' O ' ' HA ' ' A' ' 39' ' ' LEU . 55.6 p -160.45 165.96 30.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 0.786 . . . . 0.0 110.012 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 46.9 tp -150.42 99.7 2.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -98.21 150.95 19.53 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.483 1.114 . . . . 0.0 111.048 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.59 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 64.2 m-85 -109.22 143.11 39.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 0.786 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.59 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 28.1 m-85 -149.89 156.07 41.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.991 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.5 ttpt -48.64 -63.99 0.93 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -147.18 -176.46 5.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.539 ' HB1' ' CE1' ' A' ' 36' ' ' TYR . . . -65.44 -18.52 65.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.3 mmmt -83.93 -17.75 39.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.425 1.078 . . . . 0.0 109.307 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 57' ' ' VAL . . . -96.55 -15.0 21.86 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.423 1.077 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -85.55 -46.21 11.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.18 -38.82 90.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.996 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.12 -19.37 58.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.123 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 79.31 35.81 28.79 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.438 1.086 . . . . 0.0 111.016 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.403 ' N ' ' O ' ' A' ' 52' ' ' ALA . 39.8 t -103.44 119.37 55.16 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.472 0.748 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 134.93 18.39 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.484 1.781 . . . . 0.0 110.937 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -47.22 -65.49 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 111.011 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.7 m170 -122.5 45.19 2.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.589 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 53.68 19.2 9.25 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.47 1.107 . . . . 0.0 110.964 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -75.25 159.84 31.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 0.735 . . . . 0.0 110.265 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -104.73 168.6 8.24 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 152.91 41.47 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.518 1.799 . . . . 0.0 110.965 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.442 ' HB ' ' CD1' ' A' ' 89' ' ' LEU . 27.2 m -101.19 124.42 54.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.67 127.28 32.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 110.01 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.442 ' CD1' HD12 ' A' ' 39' ' ' LEU . 12.8 mt -88.04 43.38 1.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -84.43 115.39 22.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 63.58 21.32 12.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -84.61 172.11 11.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -145.19 137.6 25.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -123.64 122.32 4.84 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.466 1.104 . . . . 0.0 110.96 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.83 158.3 44.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 0.783 . . . . 0.0 110.022 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.466 ' CG2' ' HE3' ' A' ' 105' ' ' MET . 45.2 t -73.74 155.07 6.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.957 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.541 ' O ' ' CG ' ' A' ' 83' ' ' HIS . 6.8 mtpt . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.666 ' HD1' ' N ' ' A' ' 99' ' ' ALA . 15.7 p80 49.51 61.91 2.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.575 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.496 ' CG2' ' HG3' ' A' ' 98' ' ' GLN . 60.0 t -131.25 117.77 37.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.603 ' CZ ' ' HB2' ' A' ' 97' ' ' PHE . 11.4 p90 -125.37 139.41 53.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.562 1.164 . . . . 0.0 111.005 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.2 ttmt -88.35 143.78 26.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.102 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 56.5 tp -126.11 99.44 5.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -95.52 114.56 4.91 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.498 1.124 . . . . 0.0 111.016 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.442 ' CD1' ' HB ' ' A' ' 65' ' ' VAL . 5.2 mt -74.41 -175.99 2.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 0.792 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -88.5 -9.84 51.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 110.322 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -101.99 26.33 7.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 63.09 31.09 79.54 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.531 1.144 . . . . 0.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.85 108.7 20.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 0.756 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -102.6 140.96 36.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.16 . . . . 0.0 110.283 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.507 ' HB3' ' CE2' ' A' ' 97' ' ' PHE . 56.1 m-85 -136.52 149.89 48.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.464 1.102 . . . . 0.0 111.036 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.408 ' O ' ' O ' ' A' ' 15' ' ' CYS . 59.6 mt -121.12 111.98 18.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.342 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.625 ' CE1' ' SG ' ' A' ' 37' ' ' CYS . 95.8 m-85 -113.14 140.77 47.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.584 ' NE2' ' CE1' ' A' ' 83' ' ' HIS . 2.6 tt0 -115.46 114.07 24.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.298 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.666 ' N ' ' HD1' ' A' ' 83' ' ' HIS . . . -76.67 -132.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -124.08 -41.68 2.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -150.08 -173.93 4.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -67.02 -9.05 34.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 110.337 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 104' ' ' GLU . . . -89.19 -71.66 0.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 103' ' ' ALA . 2.0 tp10 -37.69 -44.27 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 110.307 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.473 ' CG ' ' CD1' ' A' ' 85' ' ' PHE . 5.2 ttp -68.15 -61.64 1.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 111.011 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.17 -39.44 0.92 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 110.005 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.86 -50.81 61.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 110.008 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.533 ' CH2' ' HB3' ' A' ' 37' ' ' CYS . 19.3 m95 -44.04 -62.15 1.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.579 HD22 ' CD2' ' A' ' 85' ' ' PHE . 0.4 OUTLIER -45.62 -51.59 11.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 24.7 ttp85 -55.55 -32.6 63.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.454 ' CG1' ' HB2' ' A' ' 10' ' ' MET . 20.3 t -80.94 -55.69 7.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 90.7 t -50.75 -39.36 18.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -71.86 -37.27 70.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -71.71 -16.01 62.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -91.4 -42.58 10.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 32.7 mt -55.65 -59.31 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.295 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 118' ' ' SER . . . -50.65 -58.65 5.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 117' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.985 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -105.62 147.11 28.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.16 . . . . 0.0 110.265 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.525 ' HG2' ' CE2' ' A' ' 108' ' ' TRP . 7.1 ttt -146.48 131.46 18.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 111.048 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -144.82 131.44 19.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.301 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -172.51 163.29 35.3 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.418 1.074 . . . . 0.0 111.041 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.422 ' HE2' ' CG ' ' A' ' 49' ' ' ASP . 1.0 OUTLIER -66.46 116.55 7.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 0.789 . . . . 0.0 110.955 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.495 ' CD1' ' HA ' ' A' ' 99' ' ' ALA . 2.0 mp -134.97 152.41 51.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -91.53 96.47 10.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 108.273 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.574 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 16.7 ttp180 -88.11 119.48 28.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.334 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.439 ' O ' ' OE2' ' A' ' 19' ' ' GLU . 2.3 tttt -124.34 97.3 5.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.457 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 21.5 tt0 -61.59 123.58 18.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.477 ' OE2' ' N ' ' A' ' 96' ' ' LEU . 1.1 mp0 -106.6 -51.98 2.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.403 ' SD ' ' OE1' ' A' ' 94' ' ' GLU . 11.9 mtp -120.9 154.88 35.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.412 ' O ' ' CG ' ' A' ' 21' ' ' GLU . 11.4 tt0 -113.43 -11.62 13.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.148 . . . . 0.0 110.294 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 176.09 173.52 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -47.88 114.5 0.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 60.82 18.41 53.22 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.41 ' CG ' ' HB3' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -101.8 118.31 36.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 0.742 . . . . 0.0 109.339 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.5 pttm -85.9 124.39 32.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.266 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.457 ' CB ' ' HG2' ' A' ' 18' ' ' GLN . . . -67.8 145.2 54.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.22 -77.78 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.0 p-10 -94.77 126.98 40.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.3 mtm180 -130.72 61.72 1.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.66 158.3 18.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 110.018 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 86.4 m95 -80.47 126.93 31.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 108.006 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -146.95 140.37 25.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.304 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.1 p-10 -70.39 103.96 2.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.456 ' CG1' ' HB3' ' A' ' 46' ' ' PHE . 26.0 t -120.7 126.14 74.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.123 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -72.65 106.45 4.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 111.031 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.62 ' SG ' ' CE1' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -77.66 128.42 34.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 108.285 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 64.3 t -125.75 104.93 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.464 HD13 ' CD1' ' A' ' 67' ' ' LEU . 0.6 OUTLIER -100.98 139.63 36.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.271 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 42' ' ' GLY . 2.3 tpt180 -134.97 -148.44 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 110.271 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.99 71.5 0.06 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 40' ' ' ARG . . . 74.19 56.07 5.4 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.483 1.114 . . . . 0.0 110.966 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.409 ' O ' ' HA ' ' A' ' 39' ' ' LEU . 59.3 p -160.31 166.54 29.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 0.768 . . . . 0.0 110.004 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.435 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 40.9 tp -150.23 98.82 2.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -97.92 146.03 18.04 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.522 1.139 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.589 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 65.4 m-85 -108.83 141.21 41.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 0.79 . . . . 0.0 110.952 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.589 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 21.5 m-85 -149.55 152.77 36.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.976 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.0 tptm -44.56 -62.39 1.21 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.422 ' CG ' ' HE2' ' A' ' 13' ' ' MET . 1.4 m-20 -155.98 -175.68 5.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.77 -13.52 34.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.6 mmmt -79.38 -38.69 34.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.12 -55.29 5.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.495 ' HA ' ' CD2' ' A' ' 47' ' ' TYR . . . -48.45 -42.14 31.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.3 t -59.46 -46.79 87.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.036 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -80.66 2.07 27.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 109.343 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 62.75 40.82 99.68 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 81.5 t -106.41 121.12 46.37 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.505 0.768 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 133.11 16.2 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.533 1.807 . . . . 0.0 110.965 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.441 ' CD2' ' CD2' ' A' ' 60' ' ' HIS . 25.7 t80 -47.08 -67.43 0.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.441 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 15.6 m170 -117.22 47.59 1.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.607 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 48.72 23.72 3.6 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.538 1.148 . . . . 0.0 111.019 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -81.16 159.41 24.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 0.74 . . . . 0.0 110.309 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.405 ' HB ' ' HD2' ' A' ' 64' ' ' PRO . 0.0 OUTLIER -105.13 168.9 7.73 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.405 ' HD2' ' HB ' ' A' ' 63' ' ' VAL . 18.3 Cg_endo -74.98 150.94 38.99 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.466 1.772 . . . . 0.0 111.022 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.435 ' CG2' ' HB3' ' A' ' 44' ' ' LEU . 27.2 m -99.78 124.89 53.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.277 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 58.3 m -73.47 127.39 32.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.969 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.464 ' CD1' HD13 ' A' ' 39' ' ' LEU . 9.3 mt -88.39 45.44 1.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -85.98 109.09 18.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.5 mtm180 69.87 19.39 7.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -81.21 175.71 10.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -149.99 135.0 17.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 110.321 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -119.63 126.8 6.88 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 110.951 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.79 159.78 40.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 0.748 . . . . 0.0 109.997 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.469 ' CG2' ' HE3' ' A' ' 105' ' ' MET . 37.7 t -79.43 151.38 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 109.314 -179.994 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.533 ' O ' ' CG ' ' A' ' 83' ' ' HIS . 8.8 mttp . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.69 ' HD1' ' N ' ' A' ' 99' ' ' ALA . 13.7 p80 49.36 63.8 2.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.607 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.481 ' CG2' ' HG3' ' A' ' 98' ' ' GLN . 62.8 t -130.57 117.29 38.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.601 ' CZ ' ' HB2' ' A' ' 97' ' ' PHE . 11.8 p90 -124.59 134.21 53.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 111.024 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -87.28 140.38 29.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 45.7 tp -122.59 101.06 7.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -99.33 114.21 4.96 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.4 ' CD1' ' HB ' ' A' ' 65' ' ' VAL . 7.4 mt -75.18 171.93 13.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 0.785 . . . . 0.0 109.359 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -75.96 -14.6 60.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 110.281 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.98 16.6 9.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.349 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 69.17 32.88 72.94 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.46 1.1 . . . . 0.0 111.026 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . 0.411 ' NZ ' ' HB2' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -102.66 110.46 22.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 0.754 . . . . 0.0 109.327 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . 0.403 ' OE1' ' SD ' ' A' ' 20' ' ' MET . 0.7 OUTLIER -100.43 136.89 39.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.318 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.408 ' C ' ' OE2' ' A' ' 19' ' ' GLU . 52.3 m-85 -133.84 154.21 51.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 111.016 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.477 ' N ' ' OE2' ' A' ' 19' ' ' GLU . 47.3 mt -125.5 121.26 33.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.252 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.62 ' CE1' ' SG ' ' A' ' 37' ' ' CYS . 77.7 m-85 -121.2 150.22 41.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.115 . . . . 0.0 110.954 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.607 ' HG2' ' CE1' ' A' ' 83' ' ' HIS . 6.3 tt0 -127.91 108.88 11.07 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.46 1.1 . . . . 0.0 110.295 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.69 ' N ' ' HD1' ' A' ' 83' ' ' HIS . . . -74.47 -132.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.13 -42.53 2.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.332 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -148.59 -175.49 4.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 109.301 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -65.84 -10.14 35.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.145 . . . . 0.0 110.326 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 104' ' ' GLU . . . -87.55 -71.67 0.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 103' ' ' ALA . 6.5 tp10 -38.45 -42.97 0.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.103 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.469 ' HE3' ' CG2' ' A' ' 74' ' ' VAL . 5.8 ttp -69.58 -61.06 1.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 111.015 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.1 m -40.64 -39.89 1.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 110.007 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.402 ' O ' ' HB3' ' A' ' 110' ' ' ARG . 0.3 OUTLIER -65.15 -51.51 60.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.023 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.525 ' CE2' ' HG2' ' A' ' 10' ' ' MET . 26.1 m95 -43.73 -64.54 0.64 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 108.003 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.588 HD23 ' CD2' ' A' ' 85' ' ' PHE . 0.5 OUTLIER -44.57 -51.89 8.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.257 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.402 ' HB3' ' O ' ' A' ' 107' ' ' SER . 32.1 ttp180 -54.56 -33.0 59.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.477 HG13 ' CB ' ' A' ' 10' ' ' MET . 16.1 t -81.17 -57.58 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 93.7 t -48.54 -40.38 10.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -71.41 -36.11 71.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -73.06 -16.29 61.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.343 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -92.01 -44.35 8.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 109.308 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.412 ' CG1' ' HB3' ' A' ' 67' ' ' LEU . 40.4 mt -53.66 -60.14 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -49.48 -60.54 2.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 109.966 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.1 pm0 -104.61 144.74 31.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.474 ' HG2' ' CE2' ' A' ' 108' ' ' TRP . 9.0 ttt -143.32 134.56 25.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.449 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 1.3 pm0 -144.54 124.37 13.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 110.323 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -168.94 161.24 34.91 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.514 1.134 . . . . 0.0 111.011 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.477 ' O ' ' CD1' ' A' ' 14' ' ' LEU . 1.9 mmt -58.99 126.18 26.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 0.721 . . . . 0.0 111.039 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.489 ' CD2' ' HB3' ' A' ' 97' ' ' PHE . 1.4 mp -146.48 154.86 42.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.157 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.445 ' O ' ' HA ' ' A' ' 97' ' ' PHE . 0.5 OUTLIER -96.88 95.69 8.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 108.343 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.566 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 12.2 ttp180 -87.78 123.69 32.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.513 ' HD2' ' CE2' ' A' ' 32' ' ' TRP . 21.5 tttt -124.57 94.95 4.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.476 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 2.0 tp60 -60.08 122.54 14.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 110.32 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -107.06 -48.86 3.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.239 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.456 ' CE ' ' O ' ' A' ' 25' ' ' LYS . 90.2 mmm -130.53 140.65 50.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 111.054 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -107.78 -9.57 15.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.466 ' CA ' ' O ' ' A' ' 92' ' ' GLY . . . 172.09 153.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.343 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.549 ' CZ ' ' HB3' ' A' ' 91' ' ' ASP . 84.0 m-85 -39.65 115.45 0.52 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.19 -43.54 3.26 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.551 1.157 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.479 ' CE ' ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -60.11 119.99 8.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 0.797 . . . . 0.0 109.319 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.479 ' O ' ' CE ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -92.5 139.51 30.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.327 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.476 ' CB ' ' HG2' ' A' ' 18' ' ' GLN . . . -64.33 115.09 4.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.62 -67.56 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -92.28 107.56 19.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -107.86 54.8 0.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.32 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.58 163.99 17.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 110.025 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.513 ' CE2' ' HD2' ' A' ' 17' ' ' LYS . 86.9 m95 -85.68 132.99 34.05 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -147.42 134.51 20.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.241 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -66.48 103.79 1.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.477 ' CG1' ' HB3' ' A' ' 46' ' ' PHE . 25.7 t -126.17 123.98 64.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 0.0 109.29 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -71.32 114.88 9.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 111.02 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.637 ' SG ' ' CE1' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -80.3 130.84 35.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 108.326 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.482 HG23 ' CD1' ' A' ' 47' ' ' TYR . 31.8 t -128.27 104.74 12.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.349 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.467 HD11 ' CD1' ' A' ' 67' ' ' LEU . 0.8 OUTLIER -101.1 144.12 30.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 42' ' ' GLY . 4.0 tpt180 -136.65 -148.04 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.339 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.67 69.09 0.07 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.503 1.127 . . . . 0.0 110.273 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 40' ' ' ARG . . . 77.28 56.2 4.06 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 54.0 p -160.17 167.01 28.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 0.764 . . . . 0.0 110.011 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 52.3 tp -150.1 99.36 2.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -98.32 151.76 19.66 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.504 1.128 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.616 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 61.4 m-85 -109.93 141.67 42.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.753 . . . . 0.0 110.976 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.616 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 19.7 m-85 -149.37 157.85 43.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.2 -67.05 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -151.28 -175.75 5.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.95 -13.88 29.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.279 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.57 -35.82 45.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -81.81 -42.19 20.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.98 -37.02 71.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.3 t -71.43 -37.75 71.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.013 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.86 12.54 14.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.267 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 47.48 40.38 16.26 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.9 t -104.51 120.71 49.62 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.53 0.782 . . . . 0.0 109.327 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 134.75 18.32 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.485 1.781 . . . . 0.0 111.012 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -48.17 -66.7 0.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 13.2 m170 -119.24 46.27 1.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.588 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 48.85 30.41 9.07 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.517 1.136 . . . . 0.0 111.024 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -87.19 162.74 17.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 110.25 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -105.77 168.53 8.13 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.45 1.094 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 149.36 36.87 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.549 1.815 . . . . 0.0 111.053 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 34.3 m -97.24 129.35 47.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 109.324 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.73 124.67 27.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.023 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.467 ' CD1' HD11 ' A' ' 39' ' ' LEU . 11.7 mt -84.14 49.9 1.74 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -83.89 118.99 24.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.132 . . . . 0.0 109.253 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 61.81 14.96 6.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -78.93 167.87 20.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.54 146.69 26.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 0.0 110.335 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.451 ' C ' ' CD1' ' A' ' 109' ' ' LEU . . . -116.47 123.38 5.83 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.9 t -138.0 152.47 48.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.469 0.747 . . . . 0.0 110.037 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.7 t -73.88 141.52 16.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.34 -179.995 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 19.5 mttp . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 46.06 78.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.597 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 84.0 t -136.0 128.98 46.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.319 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.609 ' CZ ' ' HB2' ' A' ' 97' ' ' PHE . 39.9 p90 -121.55 138.97 54.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.994 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.46 118.13 25.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.456 HD23 ' CE2' ' A' ' 97' ' ' PHE . 29.2 tp -94.39 98.26 10.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -94.68 114.34 4.8 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.457 1.098 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 5.8 mt -70.79 -119.61 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 0.74 . . . . 0.0 109.283 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.581 ' O ' ' CB ' ' A' ' 91' ' ' ASP . 0.4 OUTLIER -83.82 20.7 1.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.337 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.581 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 25.7 t0 89.03 -25.26 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.466 ' O ' ' CA ' ' A' ' 22' ' ' ALA . . . -88.03 -16.95 58.64 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.89 120.21 31.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 0.737 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -127.53 144.39 51.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.462 ' HB3' ' CE2' ' A' ' 97' ' ' PHE . 79.4 m-85 -140.87 162.93 34.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 72.0 mt -132.48 112.01 11.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.637 ' CE1' ' SG ' ' A' ' 37' ' ' CYS . 92.7 m-85 -115.17 134.59 55.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.976 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -106.12 106.41 16.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 110.344 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.482 ' HA ' ' CD1' ' A' ' 14' ' ' LEU . . . -70.29 159.77 33.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.42 ' CG ' ' N ' ' A' ' 101' ' ' ASP . 0.0 OUTLIER -58.67 -47.08 85.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.42 ' N ' ' CG ' ' A' ' 100' ' ' LYS . 1.3 m-20 -156.23 -175.91 5.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.343 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -51.81 -31.05 25.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.346 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.33 -71.2 0.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.565 ' HG3' ' CD1' ' A' ' 108' ' ' TRP . 1.6 tt0 -46.99 -43.37 19.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.282 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 5.0 ttp -62.04 -69.65 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.959 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.3 t -43.01 -49.51 6.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.969 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.37 -55.83 29.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.993 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.565 ' CD1' ' HG3' ' A' ' 104' ' ' GLU . 19.5 m95 -43.91 -66.84 0.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 107.983 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.571 HD22 ' CG ' ' A' ' 85' ' ' PHE . 3.9 mm? -43.95 -50.55 8.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.346 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 -57.27 -41.97 80.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 0.0 110.306 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.478 ' O ' ' N ' ' A' ' 114' ' ' ALA . 17.8 t -71.62 -60.71 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 108' ' ' TRP . 77.2 t -43.84 -41.15 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -70.74 -38.4 73.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 111' ' ' VAL . . . -69.59 -20.45 63.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -86.67 -47.58 9.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.406 ' O ' ' C ' ' A' ' 117' ' ' ALA . 20.3 mt -45.04 -61.82 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 116' ' ' ILE . . . -40.08 -59.35 1.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.988 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.283 -0.265 . . . . 0.0 110.283 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -103.59 155.38 18.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.298 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.568 ' HG2' ' CH2' ' A' ' 108' ' ' TRP . 7.3 ttt -157.09 127.89 6.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.425 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 11.6 pt-20 -143.06 123.25 13.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.305 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.21 160.01 33.55 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.457 1.098 . . . . 0.0 111.048 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.483 ' O ' ' CD1' ' A' ' 14' ' ' LEU . 2.3 mmt -58.65 125.02 21.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 0.766 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.483 ' CD1' ' O ' ' A' ' 13' ' ' MET . 1.4 mp -146.87 150.65 35.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.265 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.45 ' O ' ' HA ' ' A' ' 97' ' ' PHE . 0.3 OUTLIER -93.67 96.32 9.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 108.319 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.561 ' HG3' ' CZ ' ' A' ' 97' ' ' PHE . 6.6 ttp180 -87.78 114.88 24.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 110.318 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.505 ' HD2' ' CE2' ' A' ' 32' ' ' TRP . 8.5 tttm -124.4 105.54 9.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.52 ' HG2' ' CE1' ' A' ' 95' ' ' TYR . 0.9 OUTLIER -58.53 147.76 30.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.289 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.45 ' N ' ' OE1' ' A' ' 18' ' ' GLN . 1.6 mm-40 -121.94 -46.96 2.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.256 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.43 ' N ' ' OE1' ' A' ' 18' ' ' GLN . 24.1 mtp -137.99 144.91 41.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.102 . . . . 0.0 110.985 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -98.88 -11.5 21.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.275 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 176.61 169.71 0.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -47.19 112.7 0.56 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.987 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.43 28.57 73.8 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.522 1.139 . . . . 0.0 110.963 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.51 ' CE ' ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -128.57 132.15 48.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 0.796 . . . . 0.0 109.287 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.51 ' O ' ' CE ' ' A' ' 25' ' ' LYS . 15.9 pttt -106.96 146.84 30.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.447 ' HB3' ' CD ' ' A' ' 30' ' ' ARG . . . -69.98 127.28 32.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.55 -76.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -110.24 95.96 5.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.447 ' CD ' ' HB3' ' A' ' 27' ' ' ALA . 0.5 OUTLIER -122.54 95.88 4.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.304 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.3 m -119.34 165.05 14.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.997 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.505 ' CE2' ' HD2' ' A' ' 17' ' ' LYS . 90.8 m95 -68.06 119.93 13.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 108.009 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -142.61 131.1 22.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -64.34 103.38 0.63 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.468 ' CG1' ' HB3' ' A' ' 46' ' ' PHE . 41.0 t -124.04 122.85 65.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.459 ' CZ ' ' HB3' ' A' ' 50' ' ' ALA . 57.7 t80 -72.28 111.05 7.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 111.022 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.569 ' HB3' ' CH2' ' A' ' 108' ' ' TRP . 0.1 OUTLIER -74.07 132.27 42.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 108.312 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.434 HG23 ' CD1' ' A' ' 47' ' ' TYR . 55.9 t -130.54 105.87 12.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.35 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.485 ' CD1' ' CD1' ' A' ' 67' ' ' LEU . 0.6 OUTLIER -99.71 139.56 35.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 178.08 137.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.266 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 67.88 7.92 6.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 110.312 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 87.78 27.88 25.42 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 17.4 p -134.29 134.61 42.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 0.761 . . . . 0.0 109.998 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 33.5 tp -96.55 112.71 24.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.259 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -103.27 143.07 15.67 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.46 1.1 . . . . 0.0 111.032 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.512 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 35.1 m-85 -104.8 139.97 38.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.771 . . . . 0.0 110.949 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.522 ' CD2' ' HA ' ' A' ' 53' ' ' ALA . 46.7 m-85 -148.35 168.65 22.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 111.04 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.8 ttpp -64.81 -58.84 5.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -150.59 -178.36 6.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.318 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.459 ' HB3' ' CZ ' ' A' ' 36' ' ' TYR . . . -63.4 -16.4 60.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.5 mmtt -87.51 -18.9 28.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 57' ' ' VAL . . . -95.11 -15.53 23.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 109.258 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.522 ' HA ' ' CD2' ' A' ' 47' ' ' TYR . . . -83.24 -46.8 12.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.5 t -67.8 -39.83 83.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.997 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.32 -10.84 60.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.96 26.88 71.56 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 52' ' ' ALA . 58.1 t -94.34 113.8 61.75 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 139.04 23.87 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.477 1.777 . . . . 0.0 111.045 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -48.17 -64.96 0.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -125.46 40.39 3.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.148 . . . . 0.0 109.556 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 58.38 16.35 27.8 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.512 1.132 . . . . 0.0 111.004 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -79.88 135.27 36.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 0.747 . . . . 0.0 110.279 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -77.24 168.9 24.14 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 143.35 28.95 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.498 1.788 . . . . 0.0 110.977 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 16.9 m -88.09 123.62 40.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.366 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.0 p -66.79 128.79 37.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.1 . . . . 0.0 109.995 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.485 ' CD1' ' CD1' ' A' ' 39' ' ' LEU . 9.0 mt -93.2 28.67 2.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -78.58 113.93 17.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.5 mtm180 69.18 18.4 8.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.297 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -79.38 171.54 15.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -129.76 129.19 43.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.268 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -118.26 112.39 2.38 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.111 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.21 160.18 39.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 110.004 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.488 ' HA ' ' CB ' ' A' ' 85' ' ' PHE . 0.9 OUTLIER -84.83 163.69 2.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.969 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.574 ' CD2' ' HA ' ' A' ' 101' ' ' ASP . 0.1 OUTLIER 50.43 66.16 1.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.578 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.431 ' CG2' ' HG3' ' A' ' 98' ' ' GLN . 70.9 t -131.04 121.61 49.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.592 ' CD2' HD21 ' A' ' 109' ' ' LEU . 14.8 p90 -119.71 151.21 39.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 111.009 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.5 ttmt -98.55 137.57 37.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 47.3 tp -119.87 103.61 9.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -99.92 114.97 5.18 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.476 1.11 . . . . 0.0 110.976 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.403 ' N ' HD23 ' A' ' 89' ' ' LEU . 8.0 mt -75.96 170.55 16.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 0.775 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -75.64 -14.99 60.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.269 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -91.32 21.28 4.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 64.82 34.31 89.55 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.542 1.151 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.49 113.46 27.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 0.742 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -103.58 132.62 49.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.52 ' CE1' ' HG2' ' A' ' 18' ' ' GLN . 46.0 m-85 -129.16 158.54 38.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 17.0 mt -125.16 121.7 34.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.587 ' HB2' ' CZ ' ' A' ' 85' ' ' PHE . 98.1 m-85 -124.0 130.19 52.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 111.017 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.431 ' HG3' ' CG2' ' A' ' 84' ' ' VAL . 33.4 tt0 -104.16 119.81 39.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -83.88 170.9 13.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.401 ' O ' ' CG ' ' A' ' 101' ' ' ASP . 0.1 OUTLIER -75.97 -23.66 55.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.108 . . . . 0.0 109.291 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.574 ' HA ' ' CD2' ' A' ' 83' ' ' HIS . 61.0 m-20 -168.29 -175.92 2.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.253 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -63.22 -29.72 71.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.291 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.95 -66.87 0.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -38.76 -47.53 1.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.553 ' SD ' ' N ' ' A' ' 106' ' ' SER . 3.1 tmm? -62.55 -69.62 0.25 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.553 ' N ' ' SD ' ' A' ' 105' ' ' MET . 1.3 t -35.37 -47.25 0.42 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.999 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.95 -52.38 65.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.016 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.569 ' CH2' ' HB3' ' A' ' 37' ' ' CYS . 33.4 m95 -47.52 -66.13 0.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 108.028 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.592 HD21 ' CD2' ' A' ' 85' ' ' PHE . 1.2 mm? -42.85 -48.78 5.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 15.3 ttt85 -59.17 -38.0 78.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 110.29 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.462 ' CG1' HD22 ' A' ' 39' ' ' LEU . 21.7 t -76.63 -59.88 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.47 ' N ' ' O ' ' A' ' 108' ' ' TRP . 83.5 t -46.42 -36.58 2.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . 0.406 ' ND2' ' O ' ' A' ' 109' ' ' LEU . 14.1 m-80 -71.84 -37.75 70.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 111' ' ' VAL . . . -68.12 -16.48 64.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -92.98 -38.87 11.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 67.9 mt -63.35 -56.24 18.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 109.352 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -52.5 -47.05 66.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.026 -179.992 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.2 pm0 -122.58 146.75 47.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.491 ' HG2' ' CZ3' ' A' ' 108' ' ' TRP . 7.9 ttt -146.81 129.57 16.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 110.96 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.444 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 7.7 pt-20 -138.64 126.58 22.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.59 153.62 22.1 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.495 1.122 . . . . 0.0 110.962 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.474 ' CE ' ' HA ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -58.69 123.22 15.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 0.782 . . . . 0.0 110.959 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.462 ' CD1' ' O ' ' A' ' 13' ' ' MET . 1.2 mp -141.25 157.55 45.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.429 ' O ' ' HA ' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -96.43 96.3 8.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.128 . . . . 0.0 108.254 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.529 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 8.8 ttp180 -88.63 121.18 30.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.508 ' HD2' ' CE2' ' A' ' 32' ' ' TRP . 16.5 tttt -124.86 98.3 5.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.494 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 38.7 tt0 -60.34 109.04 0.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.287 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -90.41 -46.48 8.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.27 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.467 ' CE ' ' O ' ' A' ' 25' ' ' LYS . 5.2 mtp -126.98 143.11 51.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.419 ' O ' ' CG ' ' A' ' 21' ' ' GLU . 9.9 tt0 -104.04 -10.76 17.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 174.84 171.84 0.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -48.4 113.83 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 110.979 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 65.54 17.83 64.97 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.454 1.096 . . . . 0.0 110.978 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.467 ' O ' ' CE ' ' A' ' 20' ' ' MET . 0.0 OUTLIER -109.21 127.58 54.35 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 0.78 . . . . 0.0 109.273 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.91 141.68 32.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.494 ' CB ' ' HG2' ' A' ' 18' ' ' GLN . . . -72.49 132.29 43.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.24 -68.05 0.21 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.258 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -57.43 -68.27 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.414 ' HA ' ' O ' ' A' ' 18' ' ' GLN . 5.5 ttt-85 51.47 47.66 24.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.47 147.81 44.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.035 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.508 ' CE2' ' HD2' ' A' ' 17' ' ' LYS . 81.3 m95 -68.59 125.59 26.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 108.002 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -146.26 131.36 18.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.54 1.15 . . . . 0.0 110.265 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -66.29 103.75 1.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.476 ' CG1' ' HB3' ' A' ' 46' ' ' PHE . 46.3 t -123.9 124.59 69.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.564 ' CE1' ' HB3' ' A' ' 50' ' ' ALA . 21.8 t80 -69.49 114.82 8.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.644 ' SG ' ' CE1' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -80.75 126.59 31.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 108.316 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.3 t -124.6 103.99 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.576 ' CD1' ' CD1' ' A' ' 67' ' ' LEU . 1.2 tt -98.41 144.93 27.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.47 ' O ' ' N ' ' A' ' 42' ' ' GLY . 3.1 tpt180 -141.35 -146.41 0.19 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.12 66.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.329 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 40' ' ' ARG . . . 73.28 50.15 13.31 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.483 1.115 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.6 m -160.35 122.28 3.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 0.75 . . . . 0.0 110.03 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 27.0 tp -105.69 105.61 15.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -99.55 150.59 19.16 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.498 1.124 . . . . 0.0 111.033 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.518 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 60.1 m-85 -109.47 138.52 45.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 0.748 . . . . 0.0 110.983 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.518 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 15.5 m-85 -142.55 157.23 44.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.996 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 10.3 tptt -48.65 -61.74 1.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.474 ' HA ' ' CE ' ' A' ' 13' ' ' MET . 0.6 OUTLIER -155.5 -173.06 4.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.564 ' HB3' ' CE1' ' A' ' 36' ' ' TYR . . . -67.03 -10.54 50.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 36.4 mmtt -82.71 -23.29 34.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -96.71 -31.02 12.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.34 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.6 -41.41 90.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.341 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.7 t -78.93 -25.08 43.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.944 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.446 ' CB ' HG21 ' A' ' 57' ' ' VAL . . . -91.29 11.86 22.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 45.42 27.8 2.03 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.466 1.104 . . . . 0.0 111.013 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.446 HG21 ' CB ' ' A' ' 55' ' ' ALA . 45.9 t -99.92 121.6 53.58 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.521 0.777 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 147.68 34.33 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.487 1.782 . . . . 0.0 110.992 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -56.03 -67.17 0.32 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 110.966 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -120.73 45.63 2.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.103 . . . . 0.0 109.629 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 55.84 17.11 14.14 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.458 1.098 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -73.59 155.82 38.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 0.739 . . . . 0.0 110.349 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -102.89 168.46 8.79 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 147.72 34.31 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.499 1.789 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.8 m -95.61 121.89 46.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 31.4 t -54.84 129.96 39.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.983 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.576 ' CD1' ' CD1' ' A' ' 39' ' ' LEU . 91.1 mt -99.94 50.22 0.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.451 ' O ' ' O ' ' A' ' 67' ' ' LEU . . . -58.23 -116.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 70' ' ' ALA . 1.0 OUTLIER -83.0 14.82 3.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 110.28 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' A' ' 69' ' ' ARG . . . -42.02 163.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -123.48 133.69 54.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 110.322 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -124.14 109.2 1.24 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.458 1.099 . . . . 0.0 111.024 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 70.5 m -137.11 155.78 49.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 0.767 . . . . 0.0 110.023 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 55.9 t -64.84 155.98 6.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.254 -179.975 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.421 ' C ' ' CG ' ' A' ' 83' ' ' HIS . 34.4 mttt . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.525 ' CD2' ' HA ' ' A' ' 101' ' ' ASP . 0.1 OUTLIER 59.08 68.41 0.82 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.58 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.461 ' CG2' ' HG3' ' A' ' 98' ' ' GLN . 91.9 t -131.71 133.16 61.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.612 ' CZ ' ' HB2' ' A' ' 97' ' ' PHE . 6.0 p90 -129.65 142.64 50.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.977 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 17.7 ttmt -95.28 138.73 32.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.328 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 38.6 tp -122.54 114.05 20.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -112.12 114.98 3.68 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.467 1.105 . . . . 0.0 110.959 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.422 HD23 ' N ' ' A' ' 89' ' ' LEU . 7.6 mt -73.71 -176.28 2.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -89.78 -8.61 51.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.275 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -97.09 15.87 21.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 72.34 30.84 64.2 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.514 1.134 . . . . 0.0 110.96 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.27 110.63 22.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 0.74 . . . . 0.0 109.363 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -106.16 130.48 54.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -126.78 149.25 49.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.413 ' O ' ' O ' ' A' ' 15' ' ' CYS . 15.7 mt -117.22 116.55 27.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.644 ' CE1' ' SG ' ' A' ' 37' ' ' CYS . 97.1 m-85 -118.13 140.7 49.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 111.048 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.461 ' HG3' ' CG2' ' A' ' 84' ' ' VAL . 25.2 tt0 -118.12 117.1 28.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.132 . . . . 0.0 110.331 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -82.43 170.14 15.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.271 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 10.7 pttt -68.45 -40.49 81.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.272 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.525 ' HA ' ' CD2' ' A' ' 83' ' ' HIS . 32.1 m-20 -148.44 -168.3 3.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.436 ' CG ' ' N ' ' A' ' 103' ' ' ALA . 2.7 pt-20 -67.58 -42.58 82.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.436 ' N ' ' CG ' ' A' ' 102' ' ' GLU . . . -56.32 -68.7 0.19 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.444 1.09 . . . . 0.0 109.279 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -39.19 -43.36 1.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 20.8 ttp -66.26 -68.26 0.38 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -40.27 -40.68 1.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.97 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 108' ' ' TRP . 0.3 OUTLIER -60.88 -56.44 21.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.973 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.547 ' CH2' ' HB3' ' A' ' 37' ' ' CYS . 37.9 m95 -42.3 -66.86 0.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 108.017 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.593 HD21 ' CD2' ' A' ' 85' ' ' PHE . 1.0 OUTLIER -41.12 -56.55 2.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 32.2 ttt-85 -50.88 -37.49 43.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.298 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.465 ' N ' ' O ' ' A' ' 108' ' ' TRP . 7.2 t -77.56 -60.3 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.465 ' N ' ' O ' ' A' ' 108' ' ' TRP . 85.6 t -45.19 -44.27 3.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.494 1.122 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -65.51 -39.03 91.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 111' ' ' VAL . . . -63.33 -19.97 65.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -89.71 -35.85 15.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.407 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 22.0 mt -74.05 -41.54 52.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.51 -52.31 47.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.998 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -97.62 150.71 20.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.282 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.532 ' HG2' ' CD2' ' A' ' 108' ' ' TRP . 3.1 ttt -156.64 135.34 11.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 111.037 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -150.13 131.93 15.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.244 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -172.25 166.35 39.13 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.56 1.163 . . . . 0.0 110.99 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.7 tpt -70.8 114.0 8.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 0.753 . . . . 0.0 110.984 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.424 HD22 ' NE1' ' A' ' 108' ' ' TRP . 1.9 mp -130.81 155.41 46.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.434 ' O ' ' O ' ' A' ' 96' ' ' LEU . 0.1 OUTLIER -95.38 96.28 9.02 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.125 . . . . 0.0 108.279 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.582 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 7.8 ttp180 -89.15 119.15 29.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.123 . . . . 0.0 110.303 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.417 ' HD2' ' NE1' ' A' ' 32' ' ' TRP . 5.8 tttt -124.15 101.81 7.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.107 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.457 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 28.9 tt0 -63.29 109.8 1.69 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 110.331 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -85.0 -58.05 2.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.504 ' CE ' ' O ' ' A' ' 25' ' ' LYS . 88.0 mmm -120.54 153.28 36.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 111.032 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.404 ' O ' ' CG ' ' A' ' 21' ' ' GLU . 6.1 tt0 -106.34 -11.72 15.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 174.18 173.64 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -48.28 116.25 1.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 111.006 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 62.42 11.93 36.8 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.504 ' O ' ' CE ' ' A' ' 20' ' ' MET . 0.1 OUTLIER -99.58 131.94 45.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 0.754 . . . . 0.0 109.301 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.04 139.99 33.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.457 ' CB ' ' HG2' ' A' ' 18' ' ' GLN . . . -68.26 148.27 51.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.84 -76.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.89 -73.82 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.425 ' CZ ' ' CB ' ' A' ' 30' ' ' ARG . 2.2 ttm105 76.43 44.34 0.13 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.585 1.178 . . . . 0.0 110.329 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.73 159.33 25.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.994 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.417 ' NE1' ' HD2' ' A' ' 17' ' ' LYS . 77.5 m95 -74.66 131.32 40.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 107.982 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -147.64 119.55 8.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.329 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -60.62 103.57 0.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.482 ' CG1' ' HB3' ' A' ' 46' ' ' PHE . 95.9 t -120.97 126.91 75.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.519 ' CZ ' ' HB1' ' A' ' 50' ' ' ALA . 7.3 t80 -69.06 115.29 8.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.58 ' HB3' ' CH2' ' A' ' 108' ' ' TRP . 0.8 OUTLIER -81.89 130.22 35.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 108.279 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 60.9 t -133.12 105.55 8.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.471 HD12 ' CD1' ' A' ' 67' ' ' LEU . 0.8 OUTLIER -98.76 139.19 34.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -167.74 142.67 3.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.294 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 49.58 25.72 1.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.301 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 73.41 48.21 19.38 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.536 1.148 . . . . 0.0 111.04 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 89.9 p -152.69 126.45 8.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 0.798 . . . . 0.0 109.994 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 30.7 tp -89.53 124.13 34.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -118.63 128.58 7.76 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.482 ' HB3' ' CG1' ' A' ' 35' ' ' VAL . 34.3 m-85 -92.08 134.76 34.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 0.75 . . . . 0.0 110.98 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.408 ' O ' ' C ' ' A' ' 48' ' ' LYS . 47.6 m-85 -137.69 145.38 42.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.566 ' HA ' ' CD2' ' A' ' 59' ' ' TYR . 23.9 ttpt -39.66 -57.44 1.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -160.08 -178.59 7.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.519 ' HB1' ' CZ ' ' A' ' 36' ' ' TYR . . . -60.18 -22.44 62.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.108 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.2 mmtm -80.02 -17.11 53.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -96.41 -26.44 15.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.291 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.92 -42.1 58.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 109.272 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.2 t -69.25 -26.59 64.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.956 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -91.9 -1.34 57.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 60.59 38.24 94.67 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.6 t -106.6 113.96 62.45 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.516 0.774 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 133.2 16.22 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.5 1.79 . . . . 0.0 110.963 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.566 ' CD2' ' HA ' ' A' ' 48' ' ' LYS . 0.3 OUTLIER -58.74 116.34 3.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 111.01 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.4 m170 53.41 20.57 2.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.559 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 64.61 41.02 97.98 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.481 1.113 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.423 ' O ' ' O ' ' A' ' 63' ' ' VAL . 52.8 mt-10 -91.58 92.96 8.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 0.733 . . . . 0.0 110.278 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.423 ' O ' ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -43.13 166.66 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 163.09 36.07 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.473 1.775 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.7 m -107.11 122.94 61.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.264 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.1 m -67.27 131.06 44.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.992 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.471 ' CD1' HD12 ' A' ' 39' ' ' LEU . 13.7 mt -95.59 29.44 2.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -79.0 107.39 11.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.9 mtm180 75.31 22.92 1.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 110.259 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -92.26 152.47 19.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.275 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -114.29 137.84 51.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -124.53 117.5 3.08 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.455 1.097 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 70.9 m -137.74 161.45 36.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 0.789 . . . . 0.0 109.98 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.488 ' CG1' ' HE1' ' A' ' 105' ' ' MET . 0.9 OUTLIER -82.3 163.8 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.411 ' N ' ' HA ' ' A' ' 85' ' ' PHE . . . . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 109.251 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.418 ' C ' ' CG ' ' A' ' 83' ' ' HIS . 81.4 mttt . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.557 ' CE1' ' HA ' ' A' ' 101' ' ' ASP . 0.0 OUTLIER 48.43 73.14 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.632 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 44.3 t -131.01 143.09 41.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.572 ' CZ ' ' HB2' ' A' ' 97' ' ' PHE . 15.2 p90 -139.49 148.08 42.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 111.026 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 28.1 ttmt -95.59 145.59 25.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 35.3 tp -130.9 104.75 7.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -99.37 114.71 5.1 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.525 1.141 . . . . 0.0 110.965 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.422 ' N ' HD23 ' A' ' 89' ' ' LEU . 5.3 mt -72.11 -179.32 2.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 0.75 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -88.82 0.23 56.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.266 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -109.38 19.81 18.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 69.52 28.07 72.76 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.515 1.134 . . . . 0.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.28 103.26 14.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 0.771 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -98.46 128.13 44.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.349 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -120.4 163.0 18.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 110.985 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.434 ' O ' ' O ' ' A' ' 15' ' ' CYS . 16.1 mt -130.64 119.1 21.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.582 ' CE1' ' HG3' ' A' ' 16' ' ' ARG . 98.3 m-85 -121.19 132.5 54.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -109.13 108.44 19.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.289 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -71.16 174.58 6.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.087 . . . . 0.0 109.259 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 24.1 pttt -76.37 -36.34 58.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.354 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.557 ' HA ' ' CE1' ' A' ' 83' ' ' HIS . 62.9 m-20 -154.37 -178.5 7.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.364 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -57.5 -44.55 85.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.318 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.17 -67.93 0.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -38.4 -46.48 1.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.292 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.538 ' SD ' ' N ' ' A' ' 106' ' ' SER . 3.6 tmm? -60.21 -71.59 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.538 ' N ' ' SD ' ' A' ' 105' ' ' MET . 0.5 OUTLIER -35.04 -50.32 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.069 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.434 ' O ' ' CG2' ' A' ' 111' ' ' VAL . 0.3 OUTLIER -54.32 -51.76 63.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.974 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.58 ' CH2' ' HB3' ' A' ' 37' ' ' CYS . 19.1 m95 -51.3 -51.83 50.66 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.566 HD23 ' CD2' ' A' ' 85' ' ' PHE . 2.7 mm? -56.36 -48.75 76.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -59.69 -42.14 92.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.302 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.464 HG12 ' CD2' ' A' ' 39' ' ' LEU . 21.6 t -69.84 -59.5 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 76.9 t -47.56 -41.01 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.338 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -70.13 -38.57 75.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.35 -17.9 64.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -90.67 -41.93 11.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 51.4 mt -59.08 -53.13 52.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -53.72 -43.65 69.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.017 179.994 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -96.28 145.66 25.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.328 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.528 ' HG2' ' CE2' ' A' ' 108' ' ' TRP . 4.9 ttt -151.87 137.05 17.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 111.039 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -154.7 131.72 10.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.322 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -172.44 167.13 40.0 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.53 1.144 . . . . 0.0 110.992 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.409 ' HE3' ' CG ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -71.55 115.17 10.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 0.775 . . . . 0.0 111.031 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.475 ' CD1' ' HA ' ' A' ' 99' ' ' ALA . 2.2 mp -131.65 150.17 52.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -87.79 95.68 10.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 108.325 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.574 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 18.2 ttp180 -87.99 118.4 27.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.269 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.516 ' HD3' ' CE2' ' A' ' 32' ' ' TRP . 0.4 OUTLIER -123.79 95.54 4.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.466 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 13.1 tt0 -60.06 112.49 1.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.283 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -92.59 -56.67 2.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.115 . . . . 0.0 110.317 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 88.4 mmm -117.63 155.79 29.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 110.993 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.403 ' O ' ' CG ' ' A' ' 21' ' ' GLU . 9.3 tt0 -111.33 -12.19 14.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.296 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 174.56 173.74 0.2 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -47.26 117.5 1.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 59.46 14.27 26.79 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.518 1.136 . . . . 0.0 110.966 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.29 127.23 46.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 0.772 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.74 139.18 32.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.431 1.082 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.466 ' CB ' ' HG2' ' A' ' 18' ' ' GLN . . . -78.16 131.57 37.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.102 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.66 -62.95 0.79 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -110.37 134.28 52.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.448 ' NH1' ' HB2' ' A' ' 30' ' ' ARG . 13.3 mtm105 -127.84 50.5 2.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 110.281 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.9 m -96.09 159.75 14.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.039 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.516 ' CE2' ' HD3' ' A' ' 17' ' ' LYS . 81.5 m95 -86.29 128.02 34.86 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -145.29 123.84 12.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 110.32 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -63.18 104.19 0.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.464 ' CG1' ' HB3' ' A' ' 46' ' ' PHE . 58.3 t -117.81 127.0 75.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.511 ' CE2' ' HA ' ' A' ' 50' ' ' ALA . 6.8 t80 -71.4 108.28 4.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.523 ' SG ' ' CE1' ' A' ' 97' ' ' PHE . 0.6 OUTLIER -76.66 128.13 34.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 108.3 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 74.9 t -127.52 105.52 13.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.33 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.47 HD11 ' CD1' ' A' ' 67' ' ' LEU . 0.7 OUTLIER -97.26 138.41 34.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -176.87 136.44 0.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.287 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.6 mtm180 64.12 33.46 11.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.312 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.438 ' HA2' ' CB ' ' A' ' 115' ' ' ALA . . . 67.75 20.79 72.57 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.403 ' O ' ' HA ' ' A' ' 39' ' ' LEU . 3.1 m -118.8 166.85 12.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 0.752 . . . . 0.0 109.998 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 50.0 tp -133.76 103.04 5.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -98.53 158.13 20.37 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.582 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 67.4 m-85 -119.05 144.91 46.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 0.783 . . . . 0.0 110.955 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.582 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 34.5 m-85 -150.35 156.66 41.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -48.37 -65.46 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.409 ' CG ' ' HE3' ' A' ' 13' ' ' MET . 0.9 OUTLIER -150.61 -175.55 5.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.511 ' HA ' ' CE2' ' A' ' 36' ' ' TYR . . . -62.54 -14.19 39.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.343 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -77.56 -43.43 31.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.8 -37.07 70.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.249 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.23 -51.54 64.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.77 -28.17 68.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.004 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -90.67 12.09 20.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.44 1.087 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 42.31 33.89 1.47 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 96.8 t -101.52 121.01 52.94 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.495 0.762 . . . . 0.0 109.264 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 136.07 19.93 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.495 1.787 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -50.14 -67.3 0.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 17.2 m170 -117.11 43.74 2.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.08 . . . . 0.0 109.59 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 51.28 20.4 4.96 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -77.28 160.56 28.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 0.776 . . . . 0.0 110.339 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -105.76 168.34 8.41 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.361 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 136.37 20.37 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.464 1.771 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 17.2 m -85.23 124.5 40.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.51 127.82 34.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.032 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.47 ' CD1' HD11 ' A' ' 39' ' ' LEU . 8.3 mt -90.6 40.65 1.02 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.445 ' O ' ' NE2' ' A' ' 90' ' ' GLN . . . -83.26 110.99 18.55 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.104 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.7 mtm180 69.24 17.88 8.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.252 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -77.43 176.16 9.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -146.87 134.63 21.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -122.2 124.67 5.81 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.493 1.12 . . . . 0.0 110.992 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.1 t -136.54 161.26 36.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 0.775 . . . . 0.0 110.037 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.457 HG21 ' CE ' ' A' ' 105' ' ' MET . 38.8 t -83.14 150.4 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.241 -179.962 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.538 ' O ' ' CG ' ' A' ' 83' ' ' HIS . 7.4 mtpt . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.663 ' HD1' ' N ' ' A' ' 99' ' ' ALA . 19.2 p80 49.62 60.86 3.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.553 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.495 ' CG2' ' HG3' ' A' ' 98' ' ' GLN . 65.8 t -131.56 122.44 50.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.588 ' CZ ' ' HB2' ' A' ' 97' ' ' PHE . 8.5 p90 -129.45 136.8 50.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 111.027 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.0 ttmt -92.84 128.62 38.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 37.2 tp -109.73 100.54 9.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -92.86 115.24 4.83 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.544 1.152 . . . . 0.0 111.057 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.0 mt -73.38 -177.01 2.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 0.773 . . . . 0.0 109.317 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.445 ' NE2' ' O ' ' A' ' 68' ' ' ALA . 10.6 pt20 -89.54 -5.88 56.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -106.14 27.98 8.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 109.276 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 62.51 36.33 93.03 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.479 1.112 . . . . 0.0 111.028 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.88 108.7 20.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 0.775 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -106.87 125.67 51.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.308 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -122.22 143.81 49.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 9.8 mt -108.35 121.55 45.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.588 ' HB2' ' CZ ' ' A' ' 85' ' ' PHE . 72.0 m-85 -120.13 146.69 45.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.097 . . . . 0.0 111.034 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.587 ' HG2' ' CE1' ' A' ' 83' ' ' HIS . 2.8 tt0 -125.26 111.99 15.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.663 ' N ' ' HD1' ' A' ' 83' ' ' HIS . . . -77.35 -140.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.438 ' HG3' ' N ' ' A' ' 101' ' ' ASP . 0.0 OUTLIER -119.59 -27.2 5.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . 0.438 ' N ' ' HG3' ' A' ' 100' ' ' LYS . 64.7 m-20 -161.75 -174.77 4.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -69.45 -8.36 46.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 110.277 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 104' ' ' GLU . . . -89.23 -71.0 0.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 103' ' ' ALA . 0.9 OUTLIER -37.9 -43.05 0.66 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 110.3 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.542 ' CG ' ' CD1' ' A' ' 85' ' ' PHE . 4.8 ttp -69.59 -61.87 1.61 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -39.62 -40.23 0.86 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.994 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.16 -51.14 62.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.97 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.528 ' CE2' ' HG2' ' A' ' 10' ' ' MET . 30.1 m95 -45.44 -63.43 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 107.993 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.566 HD21 ' CD2' ' A' ' 85' ' ' PHE . 0.9 OUTLIER -44.36 -50.93 8.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.31 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 45.6 ttt180 -56.51 -36.84 69.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.304 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.45 HG12 ' CD2' ' A' ' 39' ' ' LEU . 17.2 t -77.33 -59.44 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 87.8 t -46.04 -38.49 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.231 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -71.45 -37.52 71.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 111' ' ' VAL . . . -67.71 -17.64 64.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.438 ' CB ' ' HA2' ' A' ' 42' ' ' GLY . . . -91.19 -41.72 10.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.427 1.08 . . . . 0.0 109.329 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 52.2 mt -58.2 -58.98 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.66 -62.92 1.32 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.038 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -100.19 142.07 32.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.306 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' MET . . . . . 0.524 ' HG2' ' CH2' ' A' ' 108' ' ' TRP . 5.0 ttt -140.58 131.15 25.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 110.993 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.448 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 7.8 pt-20 -146.64 125.57 12.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.304 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.14 158.68 31.35 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.476 1.11 . . . . 0.0 110.986 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.487 ' O ' ' CD1' ' A' ' 14' ' ' LEU . 2.0 mmt -59.35 120.28 9.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 0.797 . . . . 0.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.487 ' CD1' ' O ' ' A' ' 13' ' ' MET . 1.7 mp -140.93 154.68 46.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.455 ' O ' ' O ' ' A' ' 96' ' ' LEU . 0.1 OUTLIER -97.03 96.76 8.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 108.296 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.527 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 10.4 ttp180 -88.51 119.66 29.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.274 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.465 ' HD2' ' CE2' ' A' ' 32' ' ' TRP . 4.1 tttp -124.98 94.7 4.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.491 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 44.1 tt0 -66.73 111.47 3.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.267 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.479 ' OE2' ' N ' ' A' ' 96' ' ' LEU . 0.6 OUTLIER -95.1 -50.22 5.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.303 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.513 ' CE ' ' O ' ' A' ' 25' ' ' LYS . 69.8 mmm -114.98 142.68 46.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.401 ' O ' ' O ' ' A' ' 92' ' ' GLY . 3.1 tt0 -112.93 -11.6 13.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 110.273 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.511 ' HA ' ' O ' ' A' ' 92' ' ' GLY . . . -166.02 176.53 7.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -60.13 128.83 38.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 111.019 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 43.37 32.08 1.7 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.489 1.118 . . . . 0.0 110.993 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.513 ' O ' ' CE ' ' A' ' 20' ' ' MET . 0.0 OUTLIER -107.31 -158.19 0.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.765 . . . . 0.0 109.262 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.0 pttt -153.07 140.7 19.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.491 ' CB ' ' HG2' ' A' ' 18' ' ' GLN . . . -83.3 142.32 31.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 27' ' ' ALA . . . -40.37 -71.16 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.25 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -104.4 138.97 40.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 40.3 mtm180 -124.97 56.5 1.32 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.95 158.0 27.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.016 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.465 ' CE2' ' HD2' ' A' ' 17' ' ' LYS . 86.6 m95 -79.58 132.41 36.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 108.011 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -144.41 129.59 18.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 110.288 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -66.02 103.86 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.473 ' CG1' ' HB3' ' A' ' 46' ' ' PHE . 47.8 t -125.36 125.59 69.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.559 ' CE1' ' HB3' ' A' ' 50' ' ' ALA . 57.0 t80 -73.07 110.36 7.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 110.988 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.616 ' SG ' ' CE1' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -74.16 132.14 41.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 108.313 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 56.4 t -128.95 105.33 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.332 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.455 HD22 ' CG1' ' A' ' 111' ' ' VAL . 0.6 OUTLIER -102.5 141.84 34.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.282 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 42' ' ' GLY . 1.1 tpt180 -134.17 -149.68 0.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.32 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.6 mmt85 -66.62 68.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 40' ' ' ARG . . . 79.03 55.16 3.86 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.469 1.106 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.419 ' O ' ' HA ' ' A' ' 39' ' ' LEU . 33.2 p -159.82 166.69 29.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 0.77 . . . . 0.0 110.002 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.467 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 28.5 tp -150.62 102.9 3.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.22 155.27 19.52 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.503 1.127 . . . . 0.0 110.986 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.588 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 66.0 m-85 -115.2 137.22 52.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 0.776 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.588 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 5.4 m-85 -143.68 163.13 34.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -53.02 -67.05 0.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -146.73 179.02 7.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.559 ' HB3' ' CE1' ' A' ' 36' ' ' TYR . . . -60.52 -18.69 53.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.3 mmtm -85.74 -17.72 35.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -95.64 -13.35 24.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.09 -41.87 24.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.06 -40.72 96.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.986 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.03 -21.61 62.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.87 43.48 11.24 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.515 1.134 . . . . 0.0 110.982 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 84.0 t -105.08 105.08 50.26 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.515 0.773 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 128.41 11.47 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.52 1.8 . . . . 0.0 110.968 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.402 ' C ' ' N ' ' A' ' 61' ' ' GLY . 4.6 t80 -49.97 118.84 3.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 110.988 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 11.4 m170 48.83 23.44 0.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 0.0 109.571 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.402 ' N ' ' C ' ' A' ' 59' ' ' TYR . . . 63.74 23.42 67.21 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.487 1.117 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.433 ' O ' ' O ' ' A' ' 63' ' ' VAL . 38.5 mt-10 -75.41 97.61 3.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 0.778 . . . . 0.0 110.307 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.433 ' O ' ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -43.2 166.97 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 170.77 19.68 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.474 1.776 . . . . 0.0 110.991 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.467 ' CG2' ' HB3' ' A' ' 44' ' ' LEU . 35.3 m -110.37 133.46 55.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.3 128.66 34.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.975 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.45 ' CD1' HD12 ' A' ' 39' ' ' LEU . 37.1 mt -89.24 41.87 1.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -86.69 106.77 17.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.56 15.17 3.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -79.23 172.51 13.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -148.96 147.63 28.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 110.29 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.422 ' C ' ' CD1' ' A' ' 109' ' ' LEU . . . -121.28 116.18 3.07 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.483 1.114 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.32 160.33 21.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 0.728 . . . . 0.0 110.053 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.5 t -100.31 140.03 20.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.993 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 70.7 mttt . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 40.74 80.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.568 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.423 HG22 ' CB ' ' A' ' 98' ' ' GLN . 85.0 t -140.7 137.68 35.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.329 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.603 ' CZ ' ' HB2' ' A' ' 97' ' ' PHE . 11.4 p90 -123.6 135.34 53.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 26.7 ttmt -86.41 116.0 24.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.484 HD21 ' CE2' ' A' ' 97' ' ' PHE . 26.1 tp -95.4 97.95 10.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -95.5 112.97 4.51 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.531 1.144 . . . . 0.0 111.029 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 14.7 mt -66.25 -126.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 0.742 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.571 ' O ' ' CB ' ' A' ' 91' ' ' ASP . 1.5 pt20 -85.84 22.34 1.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 110.257 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.571 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 6.0 t0 88.39 -18.67 0.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . 0.511 ' O ' ' HA ' ' A' ' 22' ' ' ALA . . . -93.19 10.05 74.0 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -163.15 124.29 2.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 0.779 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -137.22 125.43 23.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 110.33 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' TYR . . . . . 0.458 ' C ' ' OE2' ' A' ' 19' ' ' GLU . 93.1 m-85 -122.13 154.67 37.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.479 ' N ' ' OE2' ' A' ' 19' ' ' GLU . 19.8 mt -115.04 107.77 15.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.616 ' CE1' ' SG ' ' A' ' 37' ' ' CYS . 97.0 m-85 -106.99 140.24 40.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 111.008 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.423 ' CB ' HG22 ' A' ' 84' ' ' VAL . 2.3 tt0 -116.67 121.52 41.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 110.358 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -86.42 173.63 9.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.3 pttp -75.75 -31.27 59.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -159.38 -175.81 5.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -62.96 -25.57 68.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.71 -71.79 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -40.16 -38.24 0.73 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.315 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 5.4 ttp -69.93 -69.14 0.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 111.029 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.1 t -39.48 -45.93 1.62 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 110.034 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' SER . . . . . 0.4 ' O ' ' HB3' ' A' ' 110' ' ' ARG . 0.3 OUTLIER -58.36 -54.91 41.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.976 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' TRP . . . . . 0.55 ' CH2' ' HB3' ' A' ' 37' ' ' CYS . 17.4 m95 -42.63 -62.69 0.92 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 107.998 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.597 HD23 ' CD2' ' A' ' 85' ' ' PHE . 0.4 OUTLIER -46.71 -50.03 18.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.4 ' HB3' ' O ' ' A' ' 107' ' ' SER . 51.5 ttt180 -56.93 -33.77 67.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.277 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.455 ' CG1' HD22 ' A' ' 39' ' ' LEU . 21.9 t -80.09 -57.91 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 86.7 t -47.22 -38.72 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.256 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -72.02 -37.02 69.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 111' ' ' VAL . . . -71.32 -20.06 62.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -87.61 -45.51 10.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 34.9 mt -53.55 -53.02 27.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -54.77 -40.68 69.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.973 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.2 t -161.49 -58.42 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 0.774 . . . . 0.0 110.029 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.76 143.59 22.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.005 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.89 -114.04 4.66 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.492 1.12 . . . . 0.0 111.023 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.68 100.0 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 0.791 . . . . 0.0 109.97 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.27 -64.38 0.84 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 110.006 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.27 114.18 0.32 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.525 1.141 . . . . 0.0 111.037 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.466 ' HB2' ' CB ' ' A' ' 114' ' ' ALA . 6.0 mm-40 -111.04 108.67 18.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 0.763 . . . . 0.0 110.301 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -94.96 148.84 21.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.478 ' HG2' ' CD2' ' A' ' 108' ' ' TRP . 5.0 ttt -157.49 132.99 9.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 111.005 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.451 ' N ' ' CD ' ' A' ' 11' ' ' GLU . 1.4 pm0 -150.69 132.93 15.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -171.57 175.34 45.07 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.473 ' O ' ' CD1' ' A' ' 14' ' ' LEU . 1.1 mmt -76.89 119.84 21.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 0.748 . . . . 0.0 110.997 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.473 ' CD1' ' O ' ' A' ' 13' ' ' MET . 1.8 mp -138.32 153.99 48.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.428 ' O ' ' HA ' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -94.84 96.24 9.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 108.322 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.572 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 14.4 ttp180 -88.89 120.62 30.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.287 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.514 ' HD2' ' CE2' ' A' ' 32' ' ' TRP . 3.7 tttp -124.5 97.14 5.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.461 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 43.8 tt0 -62.29 109.32 1.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.331 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -94.72 -60.51 1.69 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 110.324 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 3.0 mtp -105.22 130.17 53.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.946 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -98.75 -10.6 22.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.298 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -177.56 166.34 2.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 109.291 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -43.22 123.48 2.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 48.19 27.74 5.59 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.479 1.112 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.494 ' CE ' ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -114.55 126.27 54.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 0.798 . . . . 0.0 109.317 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.494 ' O ' ' CE ' ' A' ' 25' ' ' LYS . 1.6 pttt -86.28 122.49 30.33 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.461 ' CB ' ' HG2' ' A' ' 18' ' ' GLN . . . -53.61 -173.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 29' ' ' ASN . . . -108.65 -75.71 0.63 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 28' ' ' ALA . 13.2 t-20 -39.13 -67.58 0.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 77.6 mtm180 47.44 37.35 6.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.22 134.97 55.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.992 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.514 ' CE2' ' HD2' ' A' ' 17' ' ' LYS . 86.4 m95 -65.29 123.88 20.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.157 . . . . 0.0 108.027 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -147.28 139.5 24.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.306 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -70.6 103.8 2.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.474 ' CG1' ' HB3' ' A' ' 46' ' ' PHE . 21.4 t -119.69 122.51 68.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -72.02 110.55 6.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.574 ' HB3' ' CH2' ' A' ' 108' ' ' TRP . 0.5 OUTLIER -76.82 129.36 36.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 108.288 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.566 HG23 ' CD1' ' A' ' 47' ' ' TYR . 94.0 t -129.11 105.71 13.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.472 HD13 ' CD1' ' A' ' 67' ' ' LEU . 0.8 OUTLIER -97.85 136.16 38.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.24 142.19 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.341 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 60.12 14.45 4.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.296 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 82.73 30.46 32.43 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.46 1.1 . . . . 0.0 110.989 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.79 133.63 40.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 0.77 . . . . 0.0 109.978 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 41.0 tp -95.88 113.86 25.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -101.02 159.28 18.91 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.539 1.15 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.474 ' HB3' ' CG1' ' A' ' 35' ' ' VAL . 52.3 m-85 -124.94 126.53 45.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 0.79 . . . . 0.0 111.03 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.566 ' CD1' HG23 ' A' ' 38' ' ' VAL . 19.8 m-85 -137.38 158.12 45.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.953 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.43 -62.53 1.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -156.04 -175.87 5.66 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.518 1.136 . . . . 0.0 109.232 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.03 -15.09 28.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.424 ' HD2' ' N ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -80.4 -26.69 38.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -96.18 -15.97 21.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.13 -36.59 35.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 45.3 t -83.13 -16.77 45.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.032 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.99 5.07 42.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 53.73 33.64 49.3 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.504 1.128 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 89.5 t -100.32 117.9 62.21 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.461 0.742 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 137.08 21.28 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.49 1.784 . . . . 0.0 111.012 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 17.7 t80 -38.38 -65.26 0.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 111.045 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -125.51 1.59 7.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.585 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 108.0 9.27 28.38 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.462 1.101 . . . . 0.0 110.995 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -73.89 132.75 42.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 0.764 . . . . 0.0 110.308 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -80.86 172.05 10.78 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.355 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 134.73 18.18 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.511 1.795 . . . . 0.0 111.028 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.472 ' HB ' ' CD1' ' A' ' 89' ' ' LEU . 11.4 m -81.21 122.76 36.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.4 p -65.32 128.85 37.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.001 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.472 ' CD1' HD13 ' A' ' 39' ' ' LEU . 6.6 mt -92.97 34.68 1.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.454 ' O ' ' CB ' ' A' ' 69' ' ' ARG . . . -82.65 100.69 10.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.454 ' CB ' ' O ' ' A' ' 68' ' ' ALA . 0.1 OUTLIER 80.37 22.81 0.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.281 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -88.29 158.78 18.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -115.91 142.39 46.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 110.273 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -134.77 111.3 0.91 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 73.4 m -136.73 160.64 38.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 0.764 . . . . 0.0 109.987 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.568 ' HB ' ' CE2' ' A' ' 76' ' ' PHE . 53.6 t -67.59 159.96 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -94.5 72.65 3.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.568 ' CE2' ' HB ' ' A' ' 74' ' ' VAL . 54.3 m-85 -76.8 83.92 3.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 111.014 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.404 ' O ' ' N ' ' A' ' 79' ' ' ARG . 0.1 OUTLIER 171.52 -48.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.11 . . . . 0.0 109.35 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.471 ' CZ ' ' CG ' ' A' ' 81' ' ' ARG . 0.4 OUTLIER -41.95 96.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.978 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.404 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.6 OUTLIER -93.3 68.02 4.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.244 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.24 -55.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.471 ' CG ' ' CZ ' ' A' ' 78' ' ' TYR . 22.8 mmt180 -90.88 165.7 13.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.276 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 37.6 mttm -126.4 154.8 43.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 51.4 65.81 1.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.563 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.469 ' CG2' ' HG3' ' A' ' 98' ' ' GLN . 53.4 t -130.91 140.63 48.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.62 ' CD2' HD23 ' A' ' 109' ' ' LEU . 3.2 p90 -131.87 143.29 50.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.976 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 17.8 ttmt -95.99 131.09 42.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 41.3 tp -114.17 114.29 25.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.349 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -108.39 114.82 4.23 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.536 1.148 . . . . 0.0 111.032 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.472 ' CD1' ' HB ' ' A' ' 65' ' ' VAL . 5.2 mt -73.3 -173.89 1.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 0.786 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -95.09 -17.39 21.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 110.323 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.414 ' HB3' ' NZ ' ' A' ' 93' ' ' LYS . 4.4 t0 -86.49 3.83 42.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.253 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 87.72 24.01 37.18 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.561 1.163 . . . . 0.0 111.015 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.414 ' NZ ' ' HB3' ' A' ' 91' ' ' ASP . 0.0 OUTLIER -96.12 122.36 38.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 0.782 . . . . 0.0 109.306 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -119.7 124.4 46.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.276 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -121.87 154.53 36.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.948 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.422 ' O ' ' O ' ' A' ' 15' ' ' CYS . 16.8 mt -118.94 122.84 43.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.609 ' HB2' ' CZ ' ' A' ' 85' ' ' PHE . 96.4 m-85 -120.38 143.54 48.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.469 ' HG3' ' CG2' ' A' ' 84' ' ' VAL . 29.3 tt0 -119.52 109.45 15.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.11 174.56 7.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 109.291 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.23 -26.41 42.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -164.71 -177.19 4.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -59.79 -27.11 66.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.122 . . . . 0.0 110.286 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.41 -71.69 0.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -40.22 -46.35 2.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.341 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.481 ' HE3' ' CG2' ' A' ' 74' ' ' VAL . 12.0 ttp -61.96 -68.4 0.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.989 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.1 t -44.43 -49.84 9.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 110.023 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.73 -56.15 17.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.971 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.574 ' CH2' ' HB3' ' A' ' 37' ' ' CYS . 24.6 m95 -42.24 -63.9 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.62 HD23 ' CD2' ' A' ' 85' ' ' PHE . 0.8 OUTLIER -43.33 -54.05 4.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 34.5 ttt-85 -53.47 -34.14 56.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.285 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 108' ' ' TRP . 18.8 t -80.58 -59.21 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.142 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.417 ' N ' ' O ' ' A' ' 108' ' ' TRP . 98.9 t -47.47 -36.66 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -72.46 -35.52 68.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.466 ' CB ' ' HB2' ' A' ' 8' ' ' GLU . . . -71.64 -16.44 62.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -93.24 -44.58 8.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 45.2 mt -55.76 -58.17 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.29 -63.24 1.2 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.313 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.94 -59.04 3.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 110.034 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 99.18 162.14 29.51 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.527 1.142 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 75.71 3.6 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.49 1.784 . . . . 0.0 111.027 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 23.8 m -65.64 134.18 52.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.05 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 77.6 p -135.49 162.79 31.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.976 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.493 1.121 . . . . 0.0 110.969 179.97 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t -146.18 84.96 1.65 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 0.762 . . . . 0.0 110.018 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.5 t -98.37 109.41 22.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 110.029 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.65 -167.69 11.51 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.47 1.106 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.48 139.05 31.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 0.765 . . . . 0.0 109.967 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.1 p -51.45 -57.96 7.58 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.562 1.163 . . . . 0.0 110.001 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.44 152.19 5.58 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -85.83 102.45 13.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 0.743 . . . . 0.0 110.315 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -97.84 161.95 13.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.475 ' HG2' ' CE2' ' A' ' 108' ' ' TRP . 8.0 ttt -166.9 128.07 1.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.424 1.078 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.417 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 8.6 pt-20 -144.92 125.68 14.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.322 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.01 159.36 32.72 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.517 1.136 . . . . 0.0 110.968 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.486 ' O ' ' CD1' ' A' ' 14' ' ' LEU . 1.9 mmt -58.41 122.39 13.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 0.788 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.486 ' CD1' ' O ' ' A' ' 13' ' ' MET . 1.5 mp -142.34 155.14 45.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.434 ' O ' ' HA ' ' A' ' 97' ' ' PHE . 0.8 OUTLIER -97.03 96.17 8.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 108.289 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.513 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 10.6 ttp180 -88.77 120.42 30.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 110.241 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.483 ' HD2' ' CE2' ' A' ' 32' ' ' TRP . 3.3 tttt -124.25 99.54 6.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.367 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.462 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 17.2 tt0 -61.61 109.42 1.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.347 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -85.46 -61.42 1.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.321 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.409 ' HE3' ' N ' ' A' ' 25' ' ' LYS . 80.2 mmm -118.53 145.66 45.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -103.12 -12.76 17.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -176.16 169.78 2.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.357 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -51.42 120.65 5.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 110.99 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 60.11 14.27 31.48 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.524 1.14 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.479 ' CE ' ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -107.95 129.39 55.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 0.777 . . . . 0.0 109.328 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.479 ' O ' ' CE ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -94.79 142.88 26.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.462 ' CB ' ' HG2' ' A' ' 18' ' ' GLN . . . -67.66 159.75 29.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.22 -75.4 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -63.78 -68.29 0.36 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.425 ' CB ' ' CZ ' ' A' ' 30' ' ' ARG . 1.5 ttm105 65.26 46.58 2.62 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.526 1.141 . . . . 0.0 110.286 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.5 t -120.21 169.27 10.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.974 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.483 ' CE2' ' HD2' ' A' ' 17' ' ' LYS . 77.7 m95 -85.73 128.51 34.81 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -147.28 123.0 10.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 110.304 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -63.94 103.56 0.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.486 ' CG1' ' HB3' ' A' ' 46' ' ' PHE . 61.8 t -121.06 127.12 75.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.401 ' CE2' ' HB2' ' A' ' 11' ' ' GLU . 53.2 t80 -70.73 109.99 5.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 111.0 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.598 ' SG ' ' CE1' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -74.52 131.22 40.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 108.315 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 84.4 t -129.95 105.03 11.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.476 HD12 ' CD1' ' A' ' 67' ' ' LEU . 0.7 OUTLIER -96.49 137.14 36.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -172.96 145.41 1.39 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 110.293 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 50.97 22.4 1.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.329 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 75.63 38.01 38.63 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.478 1.111 . . . . 0.0 111.043 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.9 m -140.81 128.46 21.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 0.757 . . . . 0.0 109.996 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 30.3 tp -91.35 112.95 25.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.35 155.7 18.5 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.489 1.118 . . . . 0.0 110.969 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.589 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 42.7 m-85 -118.56 140.83 49.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 0.77 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.589 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 32.8 m-85 -150.31 167.93 25.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.095 . . . . 0.0 111.005 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.4 ttpt -60.31 -61.39 2.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.256 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -152.98 -176.54 5.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.01 -16.7 62.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.0 mmtt -86.58 -18.72 30.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -94.76 -22.63 17.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.12 -47.77 27.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.243 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.42 -37.12 86.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 110.025 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -78.13 -5.49 51.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 63.25 33.44 87.25 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.486 1.116 . . . . 0.0 110.974 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 86.9 t -97.77 115.96 65.75 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.479 0.752 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 132.11 15.06 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.504 1.791 . . . . 0.0 110.982 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -44.86 -63.88 0.82 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -124.56 43.67 2.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.61 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 52.65 23.85 15.98 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.452 1.095 . . . . 0.0 110.979 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -83.76 160.8 21.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 0.751 . . . . 0.0 110.317 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -104.04 169.02 7.77 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 136.52 20.34 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.481 1.78 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 16.1 m -82.63 123.47 38.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.3 t -66.59 128.07 34.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.024 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.476 ' CD1' HD12 ' A' ' 39' ' ' LEU . 5.4 mt -91.8 36.07 0.96 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.13 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -85.28 111.35 19.79 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 71.86 28.97 2.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 110.312 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -98.71 160.01 14.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -114.22 144.8 42.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 110.337 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -134.54 108.82 0.74 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.498 1.124 . . . . 0.0 110.975 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 69.6 m -135.69 160.97 36.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 0.757 . . . . 0.0 110.008 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.474 ' CG2' ' HE1' ' A' ' 105' ' ' MET . 72.9 t -70.84 160.23 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.256 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.428 ' N ' ' HA ' ' A' ' 85' ' ' PHE . . . -108.27 75.23 0.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.349 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -69.91 -44.02 70.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 111.026 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -43.55 -54.82 4.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -39.29 99.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 111.022 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.8 mtm180 -98.3 79.1 2.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.263 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 178.31 -60.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 3.0 mtt85 -83.82 174.8 10.11 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.514 1.134 . . . . 0.0 110.235 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 44.7 mttt -135.4 154.19 51.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 54.26 59.62 4.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.642 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.409 ' CG2' ' HG3' ' A' ' 98' ' ' GLN . 96.7 t -129.85 137.72 55.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.608 ' CD2' HD23 ' A' ' 109' ' ' LEU . 3.8 p90 -130.4 144.31 51.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 22.6 ttmt -92.25 143.18 26.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 39.8 tp -128.45 105.64 8.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -103.02 114.84 4.99 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.486 1.116 . . . . 0.0 110.973 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.431 ' N ' HD21 ' A' ' 89' ' ' LEU . 4.9 mt -72.92 -172.1 0.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 0.762 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -96.62 -12.18 24.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.3 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -95.7 20.24 10.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.259 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 70.26 31.69 68.87 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.478 1.112 . . . . 0.0 110.957 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.02 114.76 29.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 0.741 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -110.09 130.62 55.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.246 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -124.62 161.35 26.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 111.001 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.423 ' O ' ' O ' ' A' ' 15' ' ' CYS . 19.7 mt -131.25 121.87 25.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.103 . . . . 0.0 109.244 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.602 ' HB2' ' CZ ' ' A' ' 85' ' ' PHE . 96.4 m-85 -122.91 134.66 54.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 0.0 110.974 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.409 ' HG3' ' CG2' ' A' ' 84' ' ' VAL . 27.3 tt0 -108.88 110.18 21.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 110.306 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.18 168.79 18.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 23.5 pttt -74.07 -26.3 60.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -166.76 172.95 9.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -50.29 -36.33 31.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.302 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.79 -70.5 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -40.68 -43.46 1.95 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.343 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.474 ' HE1' ' CG2' ' A' ' 74' ' ' VAL . 11.1 ttp -64.37 -68.5 0.35 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.86 -46.2 3.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.038 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.403 ' O ' ' HB3' ' A' ' 110' ' ' ARG . 0.3 OUTLIER -57.5 -55.89 28.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.046 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.565 ' CH2' ' HB3' ' A' ' 37' ' ' CYS . 27.9 m95 -43.17 -63.35 0.83 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 107.992 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.608 HD23 ' CD2' ' A' ' 85' ' ' PHE . 0.9 OUTLIER -43.44 -52.16 6.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.403 ' HB3' ' O ' ' A' ' 107' ' ' SER . 37.3 ttt180 -55.78 -35.58 66.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.46 HG12 ' CD2' ' A' ' 39' ' ' LEU . 21.2 t -78.69 -58.87 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.164 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.484 ' N ' ' O ' ' A' ' 108' ' ' TRP . 94.9 t -48.14 -38.17 7.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.125 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -71.52 -36.37 71.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 111' ' ' VAL . . . -69.93 -16.22 63.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -93.29 -48.47 6.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 38.8 mt -51.62 -57.84 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -54.22 -60.39 3.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 66.4 p -59.3 94.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.044 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 169.47 -135.02 3.39 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.543 1.152 . . . . 0.0 110.986 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 75.64 3.63 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.522 1.801 . . . . 0.0 111.029 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.05 151.41 21.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.956 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -131.1 -58.54 1.01 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.007 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.496 1.122 . . . . 0.0 111.024 -179.976 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.25 -57.89 1.38 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 0.751 . . . . 0.0 109.978 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.59 150.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.999 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 57.31 -141.97 43.24 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.512 1.132 . . . . 0.0 110.956 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 p 55.91 166.76 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 0.762 . . . . 0.0 110.027 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -170.5 -57.81 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.995 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.33 108.51 0.22 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.455 1.097 . . . . 0.0 111.047 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.441 ' HB2' ' CB ' ' A' ' 114' ' ' ALA . 5.3 mm-40 -121.25 111.16 17.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 0.779 . . . . 0.0 110.297 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -95.56 152.38 18.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 110.292 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.465 ' HG2' ' CH2' ' A' ' 108' ' ' TRP . 8.0 ttt -159.23 128.32 5.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 111.028 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.437 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 13.2 pt-20 -143.47 123.91 13.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.5 154.26 24.64 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.491 1.12 . . . . 0.0 110.962 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.466 ' CE ' ' HA ' ' A' ' 49' ' ' ASP . 0.1 OUTLIER -58.41 123.16 15.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 0.787 . . . . 0.0 110.969 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.442 ' CD1' ' O ' ' A' ' 13' ' ' MET . 1.4 mp -140.57 155.08 46.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.347 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.443 ' O ' ' HA ' ' A' ' 97' ' ' PHE . 0.5 OUTLIER -94.01 95.87 9.32 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 108.308 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.534 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 9.8 ttp180 -88.54 115.83 26.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.503 ' HD2' ' CE2' ' A' ' 32' ' ' TRP . 4.0 tttt -122.92 104.7 9.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.6 ' OE1' ' CE1' ' A' ' 95' ' ' TYR . 7.6 tp60 -65.05 140.11 58.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -124.5 -50.12 1.76 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.449 ' O ' ' NE2' ' A' ' 18' ' ' GLN . 89.5 mmm -128.56 141.44 51.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 110.967 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -106.08 -10.61 16.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.264 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . -178.38 154.57 0.82 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -43.85 111.32 0.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 111.018 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.85 -35.3 3.54 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.505 1.128 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.477 ' CE ' ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -66.06 123.4 19.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 0.744 . . . . 0.0 109.282 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.477 ' O ' ' CE ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -91.78 139.56 30.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.469 ' CB ' ' HG3' ' A' ' 18' ' ' GLN . . . -66.9 125.93 27.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.63 -72.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -106.17 121.93 45.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 43.0 mtm180 -113.04 65.59 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.281 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.1 m -106.56 164.12 12.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.028 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.503 ' CE2' ' HD2' ' A' ' 17' ' ' LYS . 76.1 m95 -92.56 129.65 38.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 108.044 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.6 mp0 -145.97 122.05 10.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.302 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -62.39 103.31 0.39 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.475 ' CG1' ' HB3' ' A' ' 46' ' ' PHE . 59.5 t -120.04 126.53 75.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.558 ' CE1' ' HB2' ' A' ' 50' ' ' ALA . 21.0 t80 -70.32 114.28 8.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 111.001 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.567 ' HB3' ' CH2' ' A' ' 108' ' ' TRP . 0.3 OUTLIER -79.37 128.64 33.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 108.29 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 60.1 t -126.93 105.68 14.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.468 HD13 ' CD1' ' A' ' 67' ' ' LEU . 0.8 OUTLIER -97.12 136.74 37.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.095 . . . . 0.0 109.331 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -172.77 140.86 1.01 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 110.25 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 54.95 24.38 5.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 74.02 35.27 54.13 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.567 1.167 . . . . 0.0 110.944 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.3 m -137.69 128.45 27.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 0.775 . . . . 0.0 109.996 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 32.8 tp -92.8 112.23 24.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -104.09 148.81 16.98 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.534 1.146 . . . . 0.0 111.042 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.475 ' HB3' ' CG1' ' A' ' 35' ' ' VAL . 42.3 m-85 -110.58 133.6 53.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 0.79 . . . . 0.0 110.974 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.433 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 33.6 m-85 -141.57 153.15 44.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.423 1.077 . . . . 0.0 111.034 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.0 tptt -44.94 -65.65 0.5 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.466 ' HA ' ' CE ' ' A' ' 13' ' ' MET . 0.2 OUTLIER -151.04 -175.82 5.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 109.327 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.558 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . . . -62.75 -13.56 34.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.436 ' HD2' ' N ' ' A' ' 51' ' ' LYS . 11.5 mptt -82.75 -19.54 37.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -97.55 -26.95 14.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.64 -31.14 70.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.37 -44.73 15.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.021 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.29 -5.96 42.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 63.09 32.94 85.85 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.483 1.114 . . . . 0.0 111.029 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 92.6 t -97.39 119.55 62.7 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.462 0.742 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 134.96 18.54 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.492 1.785 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -45.19 -65.26 0.56 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.943 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -124.81 44.05 2.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.592 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 53.79 20.93 14.28 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.493 1.121 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -84.33 134.99 34.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 0.749 . . . . 0.0 110.261 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -77.65 169.39 21.28 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 141.49 26.67 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.525 1.803 . . . . 0.0 111.011 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 20.7 m -83.75 125.34 40.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.48 124.0 23.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 110.014 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.468 ' CD1' HD13 ' A' ' 39' ' ' LEU . 6.2 mt -87.64 45.41 1.27 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -83.56 120.16 25.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.3 mtt85 57.9 16.66 3.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.341 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -80.34 155.56 27.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.333 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -125.88 142.19 51.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.274 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -127.3 123.95 4.76 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.496 1.123 . . . . 0.0 111.0 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 86' ' ' LYS . 11.6 t -136.39 160.99 37.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 110.027 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.464 ' CG2' ' HE3' ' A' ' 105' ' ' MET . 69.1 t -70.37 157.02 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -102.16 66.56 1.02 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -52.61 -46.55 67.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.991 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 78' ' ' TYR . 1.3 m-20 -41.33 -62.44 0.85 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.5 ' CE1' ' HB2' ' A' ' 81' ' ' ARG . 0.1 OUTLIER -37.27 98.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 110.956 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.19 -13.61 26.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.269 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.0 mttt -77.29 -81.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.5 ' HB2' ' CE1' ' A' ' 78' ' ' TYR . 0.9 OUTLIER -67.78 -177.71 0.83 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.344 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 20.5 mttt -136.75 158.98 43.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 52.43 66.7 1.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.609 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.406 ' CG2' ' HG3' ' A' ' 98' ' ' GLN . 91.9 t -133.65 138.18 51.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.611 ' CD2' HD22 ' A' ' 109' ' ' LEU . 4.8 p90 -130.67 144.37 51.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 73' ' ' SER . 6.4 ttmt -97.06 128.8 44.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 68.2 tp -107.29 101.42 10.8 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.145 . . . . 0.0 109.312 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -93.62 114.58 4.75 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.561 1.163 . . . . 0.0 110.995 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.478 ' HB2' ' CB ' ' A' ' 93' ' ' LYS . 5.6 mt -75.0 175.85 7.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 0.764 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -83.68 -14.98 50.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.311 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -104.29 43.54 1.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 50.06 36.67 28.43 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.486 1.116 . . . . 0.0 111.035 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.478 ' CB ' ' HB2' ' A' ' 89' ' ' LEU . 0.2 OUTLIER -106.86 98.14 7.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 0.778 . . . . 0.0 109.269 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -98.84 138.47 35.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.232 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.6 ' CE1' ' OE1' ' A' ' 18' ' ' GLN . 46.2 m-85 -134.39 151.37 51.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.975 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 15.0 mt -116.16 124.78 51.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.59 ' HB2' ' CZ ' ' A' ' 85' ' ' PHE . 98.5 m-85 -127.43 127.02 43.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.406 ' HG3' ' CG2' ' A' ' 84' ' ' VAL . 32.1 tt0 -103.95 112.0 24.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.254 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -79.86 178.38 8.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.4 ' NZ ' ' HB2' ' A' ' 104' ' ' GLU . 5.1 ptpp? -78.23 -38.19 43.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -157.14 -176.37 5.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -56.94 -41.36 78.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 110.256 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.81 -71.55 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.4 ' HB2' ' NZ ' ' A' ' 100' ' ' LYS . 0.9 OUTLIER -41.59 -43.45 2.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.464 ' HE3' ' CG2' ' A' ' 74' ' ' VAL . 15.7 ttp -66.59 -68.07 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.933 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -41.43 -47.22 3.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.984 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.405 ' O ' ' HB3' ' A' ' 110' ' ' ARG . 0.3 OUTLIER -55.65 -56.03 25.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.002 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.567 ' CH2' ' HB3' ' A' ' 37' ' ' CYS . 26.4 m95 -43.41 -64.2 0.69 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 0.0 107.999 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.611 HD22 ' CD2' ' A' ' 85' ' ' PHE . 1.1 mm? -44.02 -51.08 8.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.405 ' HB3' ' O ' ' A' ' 107' ' ' SER . 43.8 ttt180 -56.58 -36.22 69.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.453 HG12 ' CD2' ' A' ' 39' ' ' LEU . 21.3 t -78.11 -60.08 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.479 ' N ' ' O ' ' A' ' 108' ' ' TRP . 94.3 t -46.44 -38.26 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -71.36 -36.85 71.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 111' ' ' VAL . . . -69.14 -16.37 63.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -93.03 -47.46 6.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 30.6 mt -52.33 -60.27 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -50.32 -63.29 1.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 119' ' ' GLY . 0.4 OUTLIER -52.42 101.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.984 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 118' ' ' SER . . . -35.87 130.51 0.81 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.489 1.118 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 176.94 9.24 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.469 1.773 . . . . 0.0 111.069 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.6 t -90.78 131.92 36.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.017 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 10.2 p -80.01 126.42 31.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.026 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.468 1.105 . . . . 0.0 111.025 -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.94 167.75 29.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 0.764 . . . . 0.0 109.989 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -112.39 168.26 9.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.975 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.37 -132.77 2.48 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.465 1.103 . . . . 0.0 111.016 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.9 m 61.31 76.69 0.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 110.007 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.53 150.97 0.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.946 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.64 -154.29 24.32 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -87.37 103.69 15.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 0.761 . . . . 0.0 110.307 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -104.26 151.58 23.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.577 ' HG2' ' CH2' ' A' ' 108' ' ' TRP . 6.7 ttt -153.5 128.31 9.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.957 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.415 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 11.8 pt-20 -144.66 123.01 12.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.339 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.47 160.87 34.57 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.484 ' O ' ' CD1' ' A' ' 14' ' ' LEU . 2.2 mmt -58.78 124.82 21.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 0.763 . . . . 0.0 110.971 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.484 ' CD1' ' O ' ' A' ' 13' ' ' MET . 1.5 mp -145.22 154.74 42.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.436 ' O ' ' HA ' ' A' ' 97' ' ' PHE . 0.5 OUTLIER -97.77 96.3 8.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 108.307 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.571 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 8.4 ttp180 -88.04 118.56 27.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.317 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.422 ' HD2' ' NE1' ' A' ' 32' ' ' TRP . 5.4 tttt -120.97 100.73 7.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.47 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 44.2 tt0 -67.1 110.02 3.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -85.39 -55.95 3.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.266 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.488 ' CE ' ' O ' ' A' ' 25' ' ' LYS . 86.6 mmm -121.34 160.48 23.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 111.069 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -110.78 -12.34 14.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 110.305 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 173.58 173.47 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -46.72 117.87 1.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 58.14 16.13 25.09 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.488 ' O ' ' CE ' ' A' ' 20' ' ' MET . 0.0 OUTLIER -103.5 126.9 50.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 0.749 . . . . 0.0 109.274 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.71 138.07 32.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 109.348 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.47 ' CB ' ' HG2' ' A' ' 18' ' ' GLN . . . -79.31 138.21 37.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.03 -71.15 0.09 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.46 1.1 . . . . 0.0 109.35 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -112.06 128.76 56.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.333 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.6 mtm180 -119.12 58.78 0.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.271 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.5 m -108.23 161.05 15.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.958 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.422 ' NE1' ' HD2' ' A' ' 17' ' ' LYS . 87.5 m95 -82.44 128.64 34.46 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -142.38 137.25 30.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.264 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 13.8 p-10 -68.18 104.3 1.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.49 ' CG1' ' HB3' ' A' ' 46' ' ' PHE . 24.0 t -126.75 122.02 59.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.447 ' CE1' ' HB1' ' A' ' 50' ' ' ALA . 56.5 t80 -72.19 112.42 8.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 111.039 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.614 ' SG ' ' CE1' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -76.23 131.62 39.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 108.276 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 83.9 t -129.62 105.35 12.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.481 HD12 ' CD1' ' A' ' 67' ' ' LEU . 0.8 OUTLIER -95.73 135.94 36.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -172.32 144.52 1.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 110.313 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.89 20.46 1.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 110.301 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 78.22 31.67 46.26 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.466 1.104 . . . . 0.0 111.014 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 95.3 p -134.0 132.61 40.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 0.78 . . . . 0.0 110.051 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 36.8 tp -94.91 111.5 23.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -101.09 155.83 19.16 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.502 1.127 . . . . 0.0 110.978 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.574 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 41.5 m-85 -118.85 140.14 50.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 0.759 . . . . 0.0 110.997 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.574 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 25.6 m-85 -148.0 166.47 27.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.988 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -58.17 -60.04 4.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -153.49 -175.88 5.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.447 ' HB1' ' CE1' ' A' ' 36' ' ' TYR . . . -65.06 -18.48 65.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.8 mmtp -84.78 -18.33 35.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -95.35 -19.92 19.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.45 -43.59 22.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.7 t -69.53 -27.27 65.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.987 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.1 -4.26 58.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.294 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 64.06 30.3 77.38 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.139 . . . . 0.0 111.016 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 58.2 t -97.96 116.46 65.67 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.506 0.768 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 139.82 24.54 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.487 1.782 . . . . 0.0 110.962 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -47.55 -65.48 0.56 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 111.03 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.5 ' CB ' ' OE2' ' A' ' 62' ' ' GLU . 10.5 m170 -123.28 22.98 9.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.578 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.33 -8.89 59.9 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.484 1.115 . . . . 0.0 111.051 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.5 ' OE2' ' CB ' ' A' ' 60' ' ' HIS . 0.0 OUTLIER -49.85 160.34 0.32 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 0.758 . . . . 0.0 110.26 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -104.44 168.77 8.05 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 137.97 22.4 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.521 1.801 . . . . 0.0 111.023 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.483 ' HB ' ' CD1' ' A' ' 89' ' ' LEU . 28.8 m -83.14 132.64 30.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 89.3 p -75.06 127.53 33.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.988 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.481 ' CD1' HD12 ' A' ' 39' ' ' LEU . 7.0 mt -92.6 30.34 1.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -78.19 114.09 16.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 66.46 21.28 10.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.09 . . . . 0.0 110.324 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.27 168.94 17.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -125.77 135.59 52.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.268 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -130.09 109.13 0.9 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.506 1.129 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 75.1 m -136.48 160.64 38.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 0.764 . . . . 0.0 109.981 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.452 ' CG1' ' HE1' ' A' ' 105' ' ' MET . 91.7 t -68.91 158.62 5.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -105.76 53.41 0.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -43.95 -38.23 3.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.03 -47.74 71.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.415 ' OH ' ' CZ2' ' A' ' 32' ' ' TRP . 2.5 t80 -62.77 114.83 3.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.18 -23.21 12.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.58 -68.36 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 7.6 mpt_? -96.26 154.81 17.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.274 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.475 ' C ' ' CG ' ' A' ' 83' ' ' HIS . 27.1 mttm -99.42 150.1 22.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.475 ' CG ' ' C ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER 58.32 68.46 0.83 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.581 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 72.6 t -132.09 127.01 57.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.61 ' CD2' HD21 ' A' ' 109' ' ' LEU . 11.8 p90 -122.76 142.67 50.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 27.0 ttmt -89.19 149.53 23.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.251 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 50.0 tp -134.03 99.22 4.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -98.35 114.65 5.07 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.483 ' CD1' ' HB ' ' A' ' 65' ' ' VAL . 6.2 mt -76.84 170.16 16.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 0.757 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -75.25 -15.35 60.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.316 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.01 11.34 18.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.097 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 76.35 22.81 72.38 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.524 1.14 . . . . 0.0 110.968 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -92.58 114.2 26.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 0.775 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -107.19 125.22 50.82 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.118 . . . . 0.0 110.263 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -124.84 159.99 29.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.411 ' O ' ' O ' ' A' ' 15' ' ' CYS . 60.1 mt -130.58 118.67 21.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.614 ' CE1' ' SG ' ' A' ' 37' ' ' CYS . 92.9 m-85 -119.17 129.78 55.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.944 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -101.54 109.97 21.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.32 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.408 ' HA ' ' CD1' ' A' ' 14' ' ' LEU . . . -71.27 174.14 6.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.408 ' O ' ' CG ' ' A' ' 101' ' ' ASP . 1.5 pttt -79.06 -24.63 43.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.408 ' CG ' ' O ' ' A' ' 100' ' ' LYS . 7.1 m-20 -171.43 -175.99 1.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -55.83 -46.24 78.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 110.291 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 104' ' ' GLU . . . -55.21 -71.39 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.425 1.078 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 103' ' ' ALA . 0.8 OUTLIER -38.77 -45.02 1.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.321 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.452 ' HE1' ' CG1' ' A' ' 74' ' ' VAL . 12.9 ttp -63.5 -68.03 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.64 -45.4 4.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 110.01 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.26 -52.71 63.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.142 . . . . 0.0 109.997 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.577 ' CH2' ' HG2' ' A' ' 10' ' ' MET . 38.0 m95 -48.13 -67.45 0.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 107.945 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.61 HD21 ' CD2' ' A' ' 85' ' ' PHE . 1.3 mm? -40.34 -50.72 2.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -57.08 -42.13 80.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 110.298 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.47 ' CG1' HD22 ' A' ' 39' ' ' LEU . 16.7 t -72.9 -60.19 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 108' ' ' TRP . 79.6 t -46.16 -38.39 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.407 ' ND2' ' O ' ' A' ' 109' ' ' LEU . 16.9 m-80 -71.07 -37.39 72.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 109.334 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 111' ' ' VAL . . . -69.22 -15.7 63.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -93.34 -44.59 8.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 0.0 109.336 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 49.8 mt -55.35 -59.62 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -49.7 -62.92 1.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -44.29 -56.71 3.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.992 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 86.6 154.19 24.78 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.459 1.1 . . . . 0.0 110.956 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 71.9 4.86 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.542 1.812 . . . . 0.0 110.996 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 4.9 t -86.46 155.79 20.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.017 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.1 m -133.74 -61.12 0.81 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.992 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 O-C-N 124.468 1.105 . . . . 0.0 111.026 179.974 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.77 116.08 3.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 0.754 . . . . 0.0 109.985 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.9 m -152.9 114.78 4.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.993 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.69 108.61 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.479 1.112 . . . . 0.0 110.963 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 m -107.21 -59.58 1.8 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 0.796 . . . . 0.0 109.978 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -78.82 117.17 19.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 109.994 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.405 ' O ' ' NE2' ' A' ' 9' ' ' GLN . . . 133.97 160.85 9.43 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -104.99 106.87 17.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 0.763 . . . . 0.0 110.327 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.405 ' NE2' ' O ' ' A' ' 7' ' ' GLY . 6.2 mp0 -95.28 148.9 21.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.291 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.526 ' HG2' ' CD2' ' A' ' 108' ' ' TRP . 4.2 ttt -147.97 133.7 18.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.416 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 6.4 pt-20 -145.49 131.32 19.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.574 1.171 . . . . 0.0 110.329 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -172.18 153.44 19.33 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.465 1.103 . . . . 0.0 111.021 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.45 111.86 1.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 0.745 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.452 ' CD1' ' HA ' ' A' ' 99' ' ' ALA . 1.3 mp -128.33 155.16 45.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -92.49 95.41 9.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 0.0 108.3 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.568 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 15.3 ttp180 -88.75 121.95 31.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -124.28 108.18 11.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.257 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.456 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 2.6 tt0 -69.28 118.34 12.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.441 ' O ' ' NE ' ' A' ' 30' ' ' ARG . 4.3 mm-40 -102.02 -55.85 2.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.113 . . . . 0.0 110.299 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 89.3 mmm -121.55 155.34 35.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.411 ' O ' ' CG ' ' A' ' 21' ' ' GLU . 11.7 tt0 -114.15 -11.26 12.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 110.311 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 177.14 169.9 0.56 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -50.21 109.54 0.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 111.022 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.41 -1.01 58.65 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.499 1.124 . . . . 0.0 110.988 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.35 119.7 30.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 0.765 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.2 140.23 29.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.456 ' CB ' ' HG2' ' A' ' 18' ' ' GLN . . . -76.03 127.66 33.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 27' ' ' ALA . . . -39.77 -63.72 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -114.62 119.81 38.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 109.352 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.441 ' NE ' ' O ' ' A' ' 19' ' ' GLU . 12.4 mtp180 -114.29 66.32 0.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.56 1.163 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.6 m -109.01 166.08 11.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.424 1.078 . . . . 0.0 110.046 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.437 ' CZ2' ' OH ' ' A' ' 78' ' ' TYR . 73.1 m95 -91.95 129.86 37.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 108.013 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -147.04 124.53 11.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 110.309 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -62.41 103.8 0.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.473 ' CG1' ' HB3' ' A' ' 46' ' ' PHE . 87.7 t -118.93 127.09 75.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -70.19 108.31 4.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.112 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.604 ' SG ' ' CE1' ' A' ' 97' ' ' PHE . 0.5 OUTLIER -77.66 130.17 36.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 108.325 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 44.4 t -127.89 105.32 13.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.476 HD11 ' CD1' ' A' ' 67' ' ' LEU . 0.6 OUTLIER -101.23 142.49 32.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.475 ' O ' ' N ' ' A' ' 42' ' ' GLY . 3.0 tpt180 -134.54 -149.19 0.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.328 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 33.1 ttt180 -64.21 72.77 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 40' ' ' ARG . . . 72.51 56.12 6.31 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 64.8 p -160.44 166.39 29.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 0.746 . . . . 0.0 109.951 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 30.3 tp -150.49 101.14 2.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -103.27 145.92 16.37 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.466 1.104 . . . . 0.0 111.026 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.528 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 62.1 m-85 -104.27 144.82 31.1 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 0.779 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.528 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 20.6 m-85 -144.47 146.05 32.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.579 ' HA ' ' CD2' ' A' ' 59' ' ' TYR . 17.9 ttpt -37.47 -63.46 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.242 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 48' ' ' LYS . 7.4 m-20 -156.34 -175.55 5.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.157 . . . . 0.0 109.331 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.31 -13.7 41.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.0 mmtm -82.86 -25.3 32.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.254 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -90.4 -31.25 16.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.6 -46.4 82.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.4 t -64.64 -29.82 70.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.964 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -92.48 6.91 45.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.256 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 50.73 39.86 39.75 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.504 1.127 . . . . 0.0 111.031 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 93.0 t -107.05 116.58 58.22 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.551 0.795 . . . . 0.0 109.267 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 140.46 25.53 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.442 1.759 . . . . 0.0 110.968 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.579 ' CD2' ' HA ' ' A' ' 48' ' ' LYS . 0.4 OUTLIER -65.28 113.72 4.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 110.98 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 11.4 m170 57.91 16.67 3.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.625 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.13 42.02 52.25 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.493 1.12 . . . . 0.0 110.997 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -87.68 120.64 29.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 0.74 . . . . 0.0 110.298 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -71.23 164.7 54.94 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 161.23 39.18 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.498 1.789 . . . . 0.0 111.035 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 19.1 m -109.56 123.02 65.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.9 m -69.89 124.98 25.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.984 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.476 ' CD1' HD11 ' A' ' 39' ' ' LEU . 14.0 mt -86.01 47.61 1.48 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -85.01 106.37 16.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 13.0 mtm180 70.39 16.12 7.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 110.255 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.403 ' O ' ' CD1' ' A' ' 116' ' ' ILE . . . -80.88 150.75 28.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -132.17 150.39 52.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.284 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -134.32 130.92 5.73 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.508 1.13 . . . . 0.0 110.973 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 86' ' ' LYS . 1.5 t -137.21 154.0 50.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 0.755 . . . . 0.0 109.997 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.467 ' CG2' ' HE2' ' A' ' 105' ' ' MET . 73.8 t -62.53 145.86 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.4 ' N ' HG12 ' A' ' 74' ' ' VAL . . . -92.12 57.34 3.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.42 ' CD1' HG11 ' A' ' 74' ' ' VAL . 43.2 m-85 -43.02 -45.52 5.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.428 1.08 . . . . 0.0 110.992 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -46.55 -62.76 1.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.437 ' OH ' ' CZ2' ' A' ' 32' ' ' TRP . 0.7 OUTLIER -44.95 160.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 111.026 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.2 -45.49 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.265 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.42 -62.97 0.69 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 69.9 mtt-85 -92.23 124.84 36.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.331 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 25.2 mtpt -80.05 155.26 27.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 52.83 68.05 0.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 109.568 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 92.2 t -128.02 131.52 69.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.251 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.594 ' CD2' HD22 ' A' ' 109' ' ' LEU . 6.2 p90 -127.45 145.01 50.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.45 ' CD ' ' HG2' ' A' ' 94' ' ' GLU . 14.7 ttmt -94.64 134.07 37.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 57.2 tp -116.67 105.43 12.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 109.328 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -98.26 115.82 5.39 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.47 1.107 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 5.6 mt -76.05 -174.93 2.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 0.735 . . . . 0.0 109.322 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -88.5 -22.7 23.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 110.316 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -92.17 35.3 1.0 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.271 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 55.28 38.63 68.89 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.556 1.16 . . . . 0.0 111.016 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.78 105.64 15.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 0.775 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.45 ' HG2' ' CD ' ' A' ' 86' ' ' LYS . 0.6 OUTLIER -105.11 125.09 50.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.287 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -120.27 163.52 17.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 111.016 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.431 ' HB3' ' CH2' ' A' ' 32' ' ' TRP . 20.3 mt -128.43 116.19 19.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.16 . . . . 0.0 109.307 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.604 ' CE1' ' SG ' ' A' ' 37' ' ' CYS . 93.1 m-85 -116.97 138.23 51.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 110.97 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -114.34 107.05 15.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.322 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.452 ' HA ' ' CD1' ' A' ' 14' ' ' LEU . . . -70.7 176.34 4.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 8.5 pttt -79.76 -33.88 40.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -157.82 -175.84 5.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.32 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -60.16 -36.55 77.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.57 1.169 . . . . 0.0 110.264 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.96 -71.69 0.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.145 . . . . 0.0 109.269 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -38.58 -45.25 1.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.333 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.467 ' HE2' ' CG2' ' A' ' 74' ' ' VAL . 17.2 ttp -64.35 -67.65 0.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.982 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -40.02 -47.53 2.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.014 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.407 ' O ' ' HB3' ' A' ' 110' ' ' ARG . 0.3 OUTLIER -56.08 -55.17 36.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.993 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.526 ' CD2' ' HG2' ' A' ' 10' ' ' MET . 36.1 m95 -43.53 -68.23 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 108.038 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.594 HD22 ' CD2' ' A' ' 85' ' ' PHE . 2.0 mm? -40.15 -51.93 2.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.407 ' HB3' ' O ' ' A' ' 107' ' ' SER . 35.6 ttp180 -57.05 -42.83 81.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.473 ' O ' ' N ' ' A' ' 114' ' ' ALA . 12.7 t -70.29 -60.11 2.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.463 ' N ' ' O ' ' A' ' 108' ' ' TRP . 71.6 t -44.71 -39.01 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -71.18 -38.42 72.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 111' ' ' VAL . . . -71.96 -21.5 61.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -85.11 -43.37 13.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.248 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.403 ' CG1' ' HB3' ' A' ' 67' ' ' LEU . 22.1 mt -57.59 -60.74 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -45.61 -57.96 3.79 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.558 1.161 . . . . 0.0 109.263 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.3 t -46.02 -54.3 8.66 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.126 . . . . 0.0 109.997 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 101.98 158.46 26.4 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.557 1.161 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 86.93 1.36 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.435 1.755 . . . . 0.0 110.959 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 8.3 m 49.78 90.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.005 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 12.1 p -123.3 97.75 5.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.019 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.477 1.111 . . . . 0.0 110.996 -179.985 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.057 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.0 t 61.25 170.3 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 0.781 . . . . 0.0 110.006 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.1 m -137.57 -57.78 0.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.994 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.67 178.17 51.11 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.53 1.144 . . . . 0.0 110.991 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.8 p -72.98 165.77 24.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 0.759 . . . . 0.0 109.99 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.9 m 54.45 170.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 110.0 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.37 -176.09 29.03 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.502 1.126 . . . . 0.0 110.978 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.424 ' OE2' ' NH1' ' A' ' 110' ' ' ARG . 3.4 mt-10 -100.14 102.16 13.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 0.76 . . . . 0.0 110.257 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -97.51 149.52 22.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.273 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.51 ' HE3' ' CD1' ' A' ' 108' ' ' TRP . 5.0 ttt -152.97 132.14 12.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 111.029 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.402 ' N ' ' CD ' ' A' ' 11' ' ' GLU . 1.3 pm0 -148.28 130.18 15.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -172.47 160.75 32.11 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.472 1.107 . . . . 0.0 111.039 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.44 ' O ' ' CD1' ' A' ' 14' ' ' LEU . 1.5 mmt -61.12 122.73 15.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 0.801 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.44 ' CD1' ' O ' ' A' ' 13' ' ' MET . 1.5 mp -142.51 154.22 44.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.422 ' O ' ' O ' ' A' ' 96' ' ' LEU . 0.1 OUTLIER -94.54 95.78 9.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.122 . . . . 0.0 108.281 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.486 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 9.3 ttp180 -89.65 119.5 30.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.332 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.413 ' O ' ' CD ' ' A' ' 19' ' ' GLU . 5.2 tttt -124.62 108.7 12.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.501 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 54.1 tt0 -68.27 110.6 4.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.3 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.413 ' CD ' ' O ' ' A' ' 17' ' ' LYS . 26.7 mp0 -84.4 -60.07 2.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.133 . . . . 0.0 110.333 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 80.2 mmm -122.63 150.2 42.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.981 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -103.35 -11.33 17.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 172.91 164.69 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -45.81 108.75 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 111.039 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 88.65 -34.38 3.89 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.542 1.151 . . . . 0.0 111.0 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.402 ' CE ' ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -74.21 127.9 34.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 0.759 . . . . 0.0 109.347 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.402 ' O ' ' CE ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -109.71 138.56 45.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.501 ' CB ' ' HG2' ' A' ' 18' ' ' GLN . . . -55.1 119.86 6.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.56 -54.2 2.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -106.77 118.9 37.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.322 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 50.6 mtm180 -115.53 72.56 0.8 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 110.308 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.405 ' O ' ' OE1' ' A' ' 33' ' ' GLN . 0.1 OUTLIER -120.27 159.1 25.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.016 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.403 ' CH2' ' HE2' ' A' ' 78' ' ' TYR . 75.3 m95 -88.18 132.05 34.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 108.008 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.405 ' OE1' ' O ' ' A' ' 31' ' ' SER . 6.3 mp0 -146.12 129.53 16.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -66.31 103.85 1.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.091 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.487 ' CG1' ' HB3' ' A' ' 46' ' ' PHE . 41.6 t -119.52 125.1 74.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.565 ' CE2' ' HA ' ' A' ' 50' ' ' ALA . 14.1 t80 -69.26 108.05 3.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.572 ' SG ' ' CE1' ' A' ' 97' ' ' PHE . 0.5 OUTLIER -75.56 129.16 36.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 108.287 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.45 HG23 ' CD1' ' A' ' 47' ' ' TYR . 97.6 t -129.34 105.35 12.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.469 HD12 ' CD1' ' A' ' 67' ' ' LEU . 0.8 OUTLIER -95.81 136.07 36.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -168.67 148.77 4.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.346 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 42.62 29.8 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.328 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 69.38 50.93 29.33 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 58.3 p -153.46 125.25 7.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 0.768 . . . . 0.0 109.993 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 27.5 tp -90.24 109.4 20.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -99.73 147.44 18.25 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.493 1.121 . . . . 0.0 111.013 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.487 ' HB3' ' CG1' ' A' ' 35' ' ' VAL . 41.7 m-85 -111.58 138.24 48.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 0.771 . . . . 0.0 110.971 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.456 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 56.7 m-85 -147.15 164.29 33.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 110.994 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.54 -60.82 2.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -154.7 -177.97 6.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.565 ' HA ' ' CE2' ' A' ' 36' ' ' TYR . . . -62.71 -19.0 63.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 109.297 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.19 -17.7 39.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.331 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -94.52 -35.14 12.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.63 -40.33 92.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.91 -36.86 80.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.042 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -83.1 1.68 39.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 58.12 37.12 85.02 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.454 1.096 . . . . 0.0 111.014 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.7 t -101.14 116.42 63.92 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.484 0.755 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 132.66 15.61 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.505 1.792 . . . . 0.0 110.986 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -44.66 -64.13 0.76 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -124.85 47.39 2.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 109.596 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 50.31 23.48 6.1 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.467 1.105 . . . . 0.0 110.98 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -83.82 158.0 21.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 0.747 . . . . 0.0 110.325 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -102.67 168.79 8.35 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 140.35 25.37 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.518 1.799 . . . . 0.0 111.023 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.1 m -86.61 124.96 40.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.1 p -68.83 127.96 34.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.947 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.469 ' CD1' HD12 ' A' ' 39' ' ' LEU . 5.3 mt -92.14 37.75 0.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -86.68 118.28 25.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 109.331 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 64.45 26.39 13.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.28 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -93.55 169.55 10.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -131.83 140.0 49.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -130.29 117.64 2.33 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.536 1.147 . . . . 0.0 110.997 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 86' ' ' LYS . 15.4 t -134.71 161.39 35.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 0.781 . . . . 0.0 109.994 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.473 ' CG2' ' HE3' ' A' ' 105' ' ' MET . 53.5 t -70.99 158.86 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -107.7 71.6 0.82 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.368 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -58.71 -44.16 90.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 111.01 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -40.67 -62.6 0.76 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.488 ' CZ ' ' HB2' ' A' ' 81' ' ' ARG . 0.1 OUTLIER -38.45 120.58 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 111.002 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.58 -46.72 4.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.56 -84.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 109.363 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.488 ' HB2' ' CZ ' ' A' ' 78' ' ' TYR . 10.6 mtt85 -65.37 145.75 55.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.309 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 10.6 mttt -111.37 172.62 6.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 44.38 63.67 1.58 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.547 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 97.0 t -132.09 138.34 52.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.364 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.608 ' CD2' HD21 ' A' ' 109' ' ' LEU . 4.9 p90 -127.67 149.58 50.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 0.0 110.958 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 73' ' ' SER . 20.9 ttmt -99.45 138.23 36.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 42.0 tp -121.8 107.3 12.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -107.05 114.81 4.44 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.483 1.114 . . . . 0.0 110.986 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.4 mt -76.27 176.27 8.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.572 0.807 . . . . 0.0 109.26 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -81.07 -16.02 54.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.452 1.095 . . . . 0.0 110.256 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.93 11.14 14.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 74.69 26.97 66.02 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.531 1.144 . . . . 0.0 110.996 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.77 114.06 26.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 0.756 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -107.1 134.72 49.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.342 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -133.38 153.16 51.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 111.023 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.422 ' O ' ' O ' ' A' ' 15' ' ' CYS . 33.6 mt -120.4 123.31 42.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.578 ' HB2' ' CZ ' ' A' ' 85' ' ' PHE . 98.7 m-85 -122.07 128.36 51.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.98 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -102.48 111.56 23.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 110.356 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.426 ' HA ' ' CD1' ' A' ' 14' ' ' LEU . . . -75.34 177.18 6.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 101' ' ' ASP . 0.0 OUTLIER -82.06 -25.72 34.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.252 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.42 ' N ' ' HG3' ' A' ' 100' ' ' LYS . 7.0 m-20 -170.15 -176.13 2.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -55.32 -46.75 76.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.318 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.16 -71.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -38.74 -45.86 1.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.323 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.473 ' HE3' ' CG2' ' A' ' 74' ' ' VAL . 13.5 ttp -63.97 -68.18 0.37 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.21 -45.7 5.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 110.053 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.2 -55.1 35.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.984 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.561 ' CH2' ' HB3' ' A' ' 37' ' ' CYS . 34.1 m95 -44.63 -64.98 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 108.015 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.608 HD21 ' CD2' ' A' ' 85' ' ' PHE . 1.1 mm? -42.98 -51.73 5.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.413 1.071 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.424 ' NH1' ' OE2' ' A' ' 8' ' ' GLU . 34.6 ttp85 -56.1 -36.64 68.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.332 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.456 HG11 ' CD2' ' A' ' 39' ' ' LEU . 17.4 t -77.67 -59.77 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.48 ' N ' ' O ' ' A' ' 108' ' ' TRP . 93.4 t -46.33 -38.52 3.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -71.26 -36.47 71.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 111' ' ' VAL . . . -69.87 -15.75 63.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -93.08 -47.15 7.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 109.329 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 35.3 mt -52.88 -61.25 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 109.334 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -46.98 -63.33 1.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 13.6 t -43.54 -63.49 0.82 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.045 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 98.4 154.03 28.86 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.549 1.156 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 86.01 1.46 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.474 1.776 . . . . 0.0 111.017 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.5 m -117.87 148.44 42.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.98 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 75.4 p -97.48 94.24 6.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.025 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.53 102.91 9.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 0.739 . . . . 0.0 110.038 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.58 167.99 1.41 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 110.025 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.51 152.96 17.13 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.51 111.94 18.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 0.743 . . . . 0.0 110.05 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.5 p 176.18 111.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.579 1.174 . . . . 0.0 109.979 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.32 166.94 37.78 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.53 1.143 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.449 ' N ' ' OE1' ' A' ' 8' ' ' GLU . 3.4 mp0 -106.19 126.98 52.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 0.782 . . . . 0.0 110.322 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -122.87 149.77 43.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.267 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.53 ' HG2' ' CE2' ' A' ' 108' ' ' TRP . 7.2 ttt -155.1 128.9 8.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.425 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 8.7 pt-20 -144.66 123.25 12.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 110.354 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.72 160.74 34.45 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.52 1.137 . . . . 0.0 110.997 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.482 ' O ' ' CD1' ' A' ' 14' ' ' LEU . 1.8 mmt -59.08 124.54 20.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 0.759 . . . . 0.0 111.039 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.482 ' CD1' ' O ' ' A' ' 13' ' ' MET . 1.6 mp -144.12 153.76 42.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -96.69 96.41 8.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 108.284 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.577 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 12.6 ttp180 -87.98 109.46 19.84 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.53 ' HD3' ' CE2' ' A' ' 32' ' ' TRP . 0.1 OUTLIER -116.29 99.93 7.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.482 ' HG3' ' CB ' ' A' ' 27' ' ' ALA . 3.5 tp60 -59.91 140.89 56.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.326 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.445 ' N ' ' OE1' ' A' ' 18' ' ' GLN . 4.5 mm-40 -125.23 -54.56 1.59 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 110.324 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.457 ' CE ' ' O ' ' A' ' 25' ' ' LYS . 1.2 mtp -120.84 137.99 54.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.43 ' O ' ' CG ' ' A' ' 21' ' ' GLU . 9.6 tt0 -100.9 -10.17 20.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . 177.66 166.03 0.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.329 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -47.41 104.99 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.77 -18.58 19.8 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -70.69 116.35 10.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 0.747 . . . . 0.0 109.314 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.88 139.48 31.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.482 ' CB ' ' HG3' ' A' ' 18' ' ' GLN . . . -72.92 130.36 40.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.86 -65.68 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -112.26 123.22 49.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.7 mtm180 -116.97 63.81 0.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.335 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.8 m -104.36 160.31 15.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.53 ' CE2' ' HD3' ' A' ' 17' ' ' LYS . 87.3 m95 -89.38 131.74 35.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 108.021 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -147.35 137.06 22.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.153 . . . . 0.0 110.28 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -69.32 103.72 2.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.125 . . . . 0.0 109.316 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.488 ' CG1' ' HB3' ' A' ' 46' ' ' PHE . 22.0 t -122.69 123.72 68.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.254 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.458 ' CE1' ' HB2' ' A' ' 50' ' ' ALA . 48.5 t80 -74.39 111.14 9.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.085 . . . . 0.0 111.007 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.568 ' HB3' ' CH2' ' A' ' 108' ' ' TRP . 0.1 OUTLIER -76.42 130.61 38.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 108.319 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 72.7 t -127.49 105.78 14.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.48 ' CD1' ' CD1' ' A' ' 67' ' ' LEU . 0.6 OUTLIER -99.17 138.52 36.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.36 145.34 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.254 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 54.29 19.14 2.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.575 1.172 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 76.76 42.29 21.46 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.486 1.117 . . . . 0.0 110.968 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 76.3 p -146.17 127.76 15.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 0.775 . . . . 0.0 110.031 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 35.3 tp -93.02 112.6 24.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.44 158.08 18.13 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.509 1.131 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.588 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 43.9 m-85 -120.68 138.63 53.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 0.76 . . . . 0.0 110.992 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.588 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 29.5 m-85 -149.58 164.37 35.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.96 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.97 -67.03 0.29 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.48 ' HA ' ' CE ' ' A' ' 13' ' ' MET . 0.6 OUTLIER -151.33 -177.7 6.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.458 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . . . -63.11 -13.16 33.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -82.12 -28.02 32.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . -85.8 -48.52 8.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -46.21 -53.8 9.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.6 t -51.41 -47.15 63.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.98 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.44 -34.97 78.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 52' ' ' ALA . . . 92.9 30.54 9.39 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.529 1.143 . . . . 0.0 110.984 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 47.0 t -99.27 123.91 46.9 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.54 0.788 . . . . 0.0 109.332 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 137.32 21.57 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.477 1.777 . . . . 0.0 110.979 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -46.44 -65.53 0.54 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.3 m170 -124.81 50.42 1.74 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.606 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 51.83 20.34 5.99 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -80.02 159.11 26.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 0.748 . . . . 0.0 110.263 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -105.92 168.25 8.51 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 141.28 26.41 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.482 1.78 . . . . 0.0 110.998 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.401 ' HB ' ' CD1' ' A' ' 89' ' ' LEU . 25.2 m -88.51 125.99 41.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.9 p -69.33 129.5 39.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.033 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.48 ' CD1' ' CD1' ' A' ' 39' ' ' LEU . 6.9 mt -92.41 27.53 2.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.9 110.53 8.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.3 mtm180 69.44 17.93 7.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 110.341 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -78.12 158.61 29.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -116.37 125.66 52.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 110.325 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -118.74 113.29 2.54 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.535 1.147 . . . . 0.0 110.954 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -137.22 155.92 48.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 0.755 . . . . 0.0 109.992 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.578 HG22 ' CZ ' ' A' ' 76' ' ' PHE . 0.9 OUTLIER -77.53 163.91 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.423 ' N ' ' HA ' ' A' ' 85' ' ' PHE . . . -127.07 73.72 1.44 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.578 ' CZ ' HG22 ' A' ' 74' ' ' VAL . 17.3 m-85 -62.94 -33.4 75.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.949 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.64 -50.46 13.37 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.564 ' CE2' ' HB2' ' A' ' 81' ' ' ARG . 0.5 OUTLIER -51.24 103.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.997 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.68 -61.25 1.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.324 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.5 mtmm -40.68 -87.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.564 ' HB2' ' CE2' ' A' ' 78' ' ' TYR . 78.5 mtt-85 -65.55 112.99 3.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 110.312 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.0 mmtt -83.92 171.4 13.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 39.63 60.1 1.69 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.602 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 74.4 t -125.01 137.12 58.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.597 ' CD2' HD22 ' A' ' 109' ' ' LEU . 8.6 p90 -126.12 148.59 49.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 111.012 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.9 ttmt -99.5 133.01 44.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 52.4 tp -114.59 110.5 19.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -107.55 114.57 4.29 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.401 ' CD1' ' HB ' ' A' ' 65' ' ' VAL . 6.4 mt -76.0 165.67 24.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 0.786 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -68.56 -26.76 65.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.301 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -75.49 -3.17 32.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 89.57 26.68 24.47 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.499 1.124 . . . . 0.0 110.964 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.66 108.68 20.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 0.767 . . . . 0.0 109.273 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -101.66 116.67 33.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.33 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -116.03 158.85 22.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 111.006 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.424 ' O ' ' O ' ' A' ' 15' ' ' CYS . 14.4 mt -124.93 119.47 28.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.584 ' HB2' ' CZ ' ' A' ' 85' ' ' PHE . 99.6 m-85 -121.65 124.93 45.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -99.02 115.36 28.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -78.46 176.99 8.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.342 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.0 pttt -83.58 -41.24 18.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -150.16 176.9 10.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -52.03 -45.79 64.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.276 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.02 -67.54 0.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -39.39 -47.15 1.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.352 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.445 ' CE ' ' HB ' ' A' ' 74' ' ' VAL . 8.9 ttp -63.3 -68.71 0.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 111.019 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.04 -47.58 4.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.955 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.78 -55.57 28.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.028 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.568 ' CH2' ' HB3' ' A' ' 37' ' ' CYS . 27.4 m95 -44.51 -65.99 0.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 107.996 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.597 HD22 ' CD2' ' A' ' 85' ' ' PHE . 1.1 mm? -42.64 -52.27 4.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 34.5 ttt180 -55.53 -36.64 66.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.273 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.465 ' CG1' HD22 ' A' ' 39' ' ' LEU . 17.3 t -77.42 -58.17 4.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 97.2 t -48.73 -40.69 11.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -70.05 -37.45 75.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -70.27 -15.87 62.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -92.89 -47.39 7.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 25.5 mt -52.28 -61.71 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -53.35 -61.22 2.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.339 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 119' ' ' GLY . 22.9 m -52.89 100.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 110.028 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 118' ' ' SER . . . -36.3 131.11 0.89 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 169.11 23.36 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.431 1.753 . . . . 0.0 111.014 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 23.6 p -168.02 81.94 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.031 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.15 147.03 1.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.957 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.94 0 O-C-N 124.484 1.115 . . . . 0.0 111.052 179.973 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.55 93.34 2.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 0.748 . . . . 0.0 109.989 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.7 p -160.35 121.44 3.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.988 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.83 -149.91 6.42 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.564 1.165 . . . . 0.0 111.02 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -152.49 143.07 22.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 0.786 . . . . 0.0 109.985 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.98 149.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 110.004 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.29 -162.81 14.42 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.52 1.138 . . . . 0.0 111.011 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -95.38 103.49 15.36 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.55 0.794 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -97.06 142.57 28.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.278 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.561 ' HG2' ' CZ2' ' A' ' 108' ' ' TRP . 8.7 ttt -140.67 132.9 28.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.459 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 14.4 pt-20 -147.72 122.56 9.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.276 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -168.0 161.11 34.87 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.481 ' O ' ' CD1' ' A' ' 14' ' ' LEU . 1.6 mmt -59.11 125.93 25.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 0.766 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.497 ' CD2' ' HB3' ' A' ' 97' ' ' PHE . 1.4 mp -146.12 156.44 43.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.433 ' O ' ' HA ' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -99.16 96.2 7.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 108.289 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.56 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 7.7 ttp180 -88.14 122.48 31.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.252 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.406 ' HD2' ' NE1' ' A' ' 32' ' ' TRP . 2.3 tttt -124.13 105.95 9.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.484 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 6.2 tt0 -67.82 111.84 4.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.255 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -91.72 -59.46 2.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.268 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 74.7 mmm -118.5 156.06 29.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 111.005 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -113.34 -15.72 12.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 110.325 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . -175.82 157.19 1.92 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -41.32 108.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 111.011 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.71 -37.27 3.18 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.49 1.119 . . . . 0.0 110.951 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.476 ' CE ' ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -65.21 124.03 21.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 0.768 . . . . 0.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.476 ' O ' ' CE ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -96.61 139.92 31.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.484 ' CB ' ' HG2' ' A' ' 18' ' ' GLN . . . -65.21 130.19 42.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.59 -66.92 0.27 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 31.8 t30 -104.85 124.67 49.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.365 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 77.7 mtm180 -116.8 75.01 0.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.3 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.4 t -120.13 169.31 10.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.028 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.523 ' CZ2' ' OH ' ' A' ' 78' ' ' TYR . 71.7 m95 -96.31 135.65 37.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 108.026 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -147.02 135.81 22.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.301 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -69.17 104.06 2.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.479 ' CG1' ' HB3' ' A' ' 46' ' ' PHE . 40.1 t -124.98 127.26 72.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.44 ' CD2' HG22 ' A' ' 38' ' ' VAL . 54.5 t80 -73.86 111.52 9.08 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.424 1.078 . . . . 0.0 111.031 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.63 ' SG ' ' CE1' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -76.35 129.86 37.24 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 108.296 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.44 HG22 ' CD2' ' A' ' 36' ' ' TYR . 29.4 t -127.29 104.72 12.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.473 HD11 ' CD1' ' A' ' 67' ' ' LEU . 0.7 OUTLIER -101.62 144.56 30.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 0.0 109.251 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 42' ' ' GLY . 2.3 tpt180 -138.51 -148.86 0.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -66.6 71.43 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.107 . . . . 0.0 110.304 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 40' ' ' ARG . . . 75.41 54.81 5.38 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.451 1.094 . . . . 0.0 111.026 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.407 ' O ' ' HA ' ' A' ' 39' ' ' LEU . 62.0 p -159.79 166.01 31.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 0.77 . . . . 0.0 109.987 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 39.6 tp -151.06 100.33 2.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -97.71 156.36 20.6 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.47 1.106 . . . . 0.0 111.01 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.596 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 66.9 m-85 -114.78 138.51 50.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 0.732 . . . . 0.0 111.015 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.596 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 13.3 m-85 -146.87 157.63 43.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.113 . . . . 0.0 110.964 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -48.59 -68.62 0.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.422 ' HA ' ' CE ' ' A' ' 13' ' ' MET . 0.3 OUTLIER -148.97 -174.47 4.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.46 -11.56 44.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.6 mmtm -80.08 -31.46 39.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.38 -41.78 15.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -49.17 -51.96 29.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.6 t -63.94 -26.82 68.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 110.022 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -92.91 11.55 26.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 42.61 36.13 2.25 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.519 1.137 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.0 t -102.55 119.94 54.53 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.445 0.732 . . . . 0.0 109.272 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 133.88 17.1 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.483 1.781 . . . . 0.0 110.971 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -46.72 -65.56 0.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 110.99 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -121.51 43.16 2.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.665 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 51.8 24.92 14.35 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.49 1.118 . . . . 0.0 111.017 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -87.28 136.37 32.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.55 0.794 . . . . 0.0 110.279 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -79.29 170.85 14.31 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 159.3 41.45 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.421 1.748 . . . . 0.0 110.994 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.427 ' HB ' ' CD1' ' A' ' 89' ' ' LEU . 24.6 m -104.78 124.1 59.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.353 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.8 m -68.31 127.31 32.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.986 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.473 ' CD1' HD11 ' A' ' 39' ' ' LEU . 13.4 mt -89.44 43.45 1.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.102 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -88.13 118.06 27.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 64.99 21.53 12.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 110.27 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -92.32 165.53 13.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 109.263 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -138.84 150.36 45.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -133.33 120.79 2.66 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.533 1.146 . . . . 0.0 110.998 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 86' ' ' LYS . 32.7 t -137.77 161.6 36.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 0.764 . . . . 0.0 109.986 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 46.5 t -65.11 160.85 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.35 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -113.4 52.24 0.81 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.403 ' O ' ' C ' ' A' ' 77' ' ' ASP . 49.7 m-85 -46.23 -49.99 16.48 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 111.024 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -40.32 -50.71 2.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 109.3 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.523 ' OH ' ' CZ2' ' A' ' 32' ' ' TRP . 5.9 t80 -47.43 119.8 2.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.997 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.37 77.64 1.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.357 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.2 mmtt -161.3 -59.22 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.5 mpt_? -106.63 173.29 6.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 110.307 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.506 ' C ' ' CG ' ' A' ' 83' ' ' HIS . 34.0 mttp -116.03 153.96 30.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.506 ' CG ' ' C ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER 59.23 60.21 2.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.552 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 88.6 t -124.76 129.27 73.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.594 ' CZ ' ' HB2' ' A' ' 97' ' ' PHE . 11.9 p90 -128.28 143.59 51.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.949 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 73' ' ' SER . 27.9 ttmt -90.6 141.61 28.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 45.5 tp -125.0 98.77 5.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -94.61 114.55 4.84 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.479 1.112 . . . . 0.0 110.958 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.427 ' CD1' ' HB ' ' A' ' 65' ' ' VAL . 4.0 mt -72.67 -169.07 0.51 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 0.761 . . . . 0.0 109.26 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -94.94 -17.66 21.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.285 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -96.07 32.05 2.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 59.25 30.48 67.62 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.47 1.106 . . . . 0.0 111.028 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.35 106.03 17.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 0.765 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -101.71 138.16 39.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.422 1.076 . . . . 0.0 110.317 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.51 ' HB3' ' CE2' ' A' ' 97' ' ' PHE . 52.5 m-85 -132.89 160.87 35.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 111.039 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 47.2 mt -131.37 112.08 12.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.63 ' CE1' ' SG ' ' A' ' 37' ' ' CYS . 89.5 m-85 -115.02 125.76 53.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.966 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -99.43 112.26 24.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.29 178.53 4.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.88 -35.03 22.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -153.62 178.7 9.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -57.69 -40.06 78.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.13 . . . . 0.0 110.301 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.93 -66.27 0.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -40.18 -49.28 2.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.322 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.538 ' C ' ' SD ' ' A' ' 105' ' ' MET . 3.0 tmm? -61.14 -71.34 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 111.014 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.512 ' N ' ' SD ' ' A' ' 105' ' ' MET . 56.2 p -34.15 -48.47 0.32 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.981 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.95 -55.54 33.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 110.013 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.571 ' CH2' ' HB3' ' A' ' 37' ' ' CYS . 15.3 m95 -44.54 -51.32 9.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 108.026 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.542 HD22 ' CD2' ' A' ' 85' ' ' PHE . 2.8 mm? -56.83 -50.95 70.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 35.1 ttt85 -57.98 -42.24 84.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 110.309 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.468 ' CG1' HD22 ' A' ' 39' ' ' LEU . 16.0 t -69.22 -60.09 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.24 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 72.1 t -45.07 -40.3 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -70.64 -38.57 73.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 111' ' ' VAL . . . -68.82 -19.08 64.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.457 ' CB ' HD11 ' A' ' 39' ' ' LEU . . . -88.06 -43.02 12.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.097 . . . . 0.0 109.312 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 40.8 mt -54.78 -59.16 2.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -48.84 -59.29 3.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.563 1.165 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.03 85.61 0.05 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 0.0 109.987 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -164.1 -142.08 3.3 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.462 1.101 . . . . 0.0 111.015 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 158.77 41.62 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.498 1.789 . . . . 0.0 110.969 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.3 t -84.67 -59.48 2.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.971 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.7 97.96 5.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.005 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.497 1.123 . . . . 0.0 110.975 -179.992 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.4 m -66.98 -58.6 4.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 0.773 . . . . 0.0 110.008 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.2 m 42.95 84.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.016 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.72 -72.96 0.36 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.51 1.131 . . . . 0.0 110.973 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.82 94.49 3.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 0.779 . . . . 0.0 109.996 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.0 t -106.4 121.05 43.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 109.982 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.408 ' O ' ' NE2' ' A' ' 9' ' ' GLN . . . 129.21 132.15 3.46 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.506 1.128 . . . . 0.0 111.02 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -89.8 84.85 6.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.439 0.729 . . . . 0.0 110.311 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.408 ' NE2' ' O ' ' A' ' 7' ' ' GLY . 2.0 mp0 -94.76 152.61 18.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.578 ' HG2' ' CH2' ' A' ' 108' ' ' TRP . 4.9 ttt -151.18 130.76 13.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.444 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 8.3 pt-20 -144.11 122.92 12.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -164.73 153.16 23.23 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.535 1.147 . . . . 0.0 111.005 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.473 ' O ' ' CD1' ' A' ' 14' ' ' LEU . 3.5 tpt -58.54 119.92 7.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 0.798 . . . . 0.0 110.964 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.473 ' CD1' ' O ' ' A' ' 13' ' ' MET . 1.8 mp -139.11 153.05 47.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.428 ' O ' ' HA ' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -94.32 96.63 9.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 108.341 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.561 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 14.3 ttp180 -89.1 123.59 33.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -124.54 94.55 4.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.404 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 25.5 tt0 -61.11 110.31 1.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.454 ' O ' ' NE ' ' A' ' 30' ' ' ARG . 2.5 mm-40 -88.4 -51.75 5.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.404 ' SD ' ' O ' ' A' ' 25' ' ' LYS . 80.7 mmm -125.07 163.49 22.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -115.07 -12.54 11.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 174.59 173.28 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -47.69 118.5 2.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 110.991 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 59.05 14.41 24.49 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.515 1.135 . . . . 0.0 110.95 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.404 ' O ' ' SD ' ' A' ' 20' ' ' MET . 0.0 OUTLIER -101.07 121.59 42.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 0.754 . . . . 0.0 109.298 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -89.16 137.85 31.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 28' ' ' ALA . . . -76.01 138.28 40.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 27' ' ' ALA . . . -39.31 -62.74 0.62 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -133.17 119.23 19.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.454 ' NE ' ' O ' ' A' ' 19' ' ' GLU . 14.7 mtp180 -103.59 66.49 0.87 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.277 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.5 m -104.23 163.91 12.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.992 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 82.4 m95 -84.5 128.4 34.57 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 108.027 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -147.36 123.87 11.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -60.85 102.99 0.22 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.479 ' CG1' ' HB3' ' A' ' 46' ' ' PHE . 44.1 t -120.82 121.48 65.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -69.83 111.16 5.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.538 ' SG ' ' CE1' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -75.18 129.58 37.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 108.328 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.418 ' HB ' ' CE1' ' A' ' 47' ' ' TYR . 45.7 t -126.74 105.27 13.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.476 ' CD1' HD12 ' A' ' 67' ' ' LEU . 0.6 OUTLIER -102.2 144.01 31.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 42' ' ' GLY . 2.7 tpt180 -134.66 -148.36 0.31 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 110.339 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -66.18 69.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.324 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 40' ' ' ARG . . . 77.55 55.98 4.06 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.409 ' O ' ' HA ' ' A' ' 39' ' ' LEU . 60.4 p -160.25 167.24 28.0 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.543 0.79 . . . . 0.0 109.993 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 52.4 tp -150.06 101.07 2.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -101.01 147.68 17.91 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.502 1.126 . . . . 0.0 111.016 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.481 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 67.9 m-85 -106.25 136.15 46.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 0.733 . . . . 0.0 110.961 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.481 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 6.8 m-85 -137.54 166.94 22.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.76 -63.8 1.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -152.63 -174.67 4.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.0 -26.22 67.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -77.56 -14.49 59.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.561 1.163 . . . . 0.0 109.327 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -97.42 -24.94 15.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.43 -40.26 73.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.5 t -70.81 -41.61 71.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.976 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.81 -3.79 33.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 57.97 44.77 94.38 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.548 1.155 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 78.4 t -104.41 105.58 50.36 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.476 0.75 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 128.83 11.78 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.486 1.782 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.409 ' C ' ' N ' ' A' ' 61' ' ' GLY . 5.3 t80 -49.18 117.27 2.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.954 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 11.1 m170 48.81 23.32 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.577 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.409 ' N ' ' C ' ' A' ' 59' ' ' TYR . . . 69.3 31.37 71.55 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.542 1.152 . . . . 0.0 110.959 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -77.11 115.43 16.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 0.775 . . . . 0.0 110.285 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.1 m -65.11 164.89 19.11 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 152.68 40.91 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.55 1.816 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.473 ' HB ' ' CD1' ' A' ' 89' ' ' LEU . 27.3 m -97.69 125.11 50.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 38.9 m -70.67 129.96 40.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.031 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.476 HD12 ' CD1' ' A' ' 39' ' ' LEU . 19.9 mt -91.9 31.88 1.19 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.422 ' O ' ' CB ' ' A' ' 69' ' ' ARG . . . -82.39 108.06 15.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.422 ' CB ' ' O ' ' A' ' 68' ' ' ALA . 3.4 mmp_? 78.38 21.76 0.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 110.316 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -91.81 176.16 6.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.271 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -149.53 148.08 28.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -133.2 128.8 5.2 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 58.1 m -137.51 161.45 36.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 0.749 . . . . 0.0 110.021 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.657 ' CG1' ' CE1' ' A' ' 76' ' ' PHE . 54.2 t -80.36 154.83 4.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -106.28 87.31 2.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.657 ' CE1' ' CG1' ' A' ' 74' ' ' VAL . 45.4 m-85 -89.04 25.45 1.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.939 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 78' ' ' TYR . 1.1 m-20 -125.03 -42.36 2.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.344 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.572 ' CD2' HG12 ' A' ' 84' ' ' VAL . 3.2 t80 -35.89 131.44 0.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.095 . . . . 0.0 110.954 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.487 ' O ' ' HB2' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -104.94 173.53 6.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.254 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.487 ' HB2' ' O ' ' A' ' 79' ' ' ARG . 5.4 mmpt? 75.0 -82.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.328 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.467 ' HB2' ' CE1' ' A' ' 78' ' ' TYR . 62.6 mtt180 -81.03 175.51 10.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.483 ' C ' ' CG ' ' A' ' 83' ' ' HIS . 68.8 mttt -140.3 165.42 27.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.515 ' CG ' ' HA ' ' A' ' 101' ' ' ASP . 0.2 OUTLIER 63.61 55.3 1.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.593 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.572 HG12 ' CD2' ' A' ' 78' ' ' TYR . 59.5 t -122.67 140.41 46.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.594 ' CZ ' ' HB2' ' A' ' 97' ' ' PHE . 10.6 p90 -129.95 136.37 49.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 110.96 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -86.03 153.57 22.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.095 . . . . 0.0 109.27 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 55.3 tp -138.83 107.54 5.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 109.31 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -108.71 114.32 4.03 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.527 1.142 . . . . 0.0 110.949 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.473 ' CD1' ' HB ' ' A' ' 65' ' ' VAL . 5.4 mt -74.89 177.23 6.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 0.776 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -81.87 -17.21 48.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.307 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -85.24 8.73 17.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 79.24 21.24 67.87 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.533 1.145 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.41 119.03 29.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.571 0.806 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -110.81 126.05 54.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 110.298 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -124.41 159.19 30.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 13.4 mt -131.41 116.19 17.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.594 ' HB2' ' CZ ' ' A' ' 85' ' ' PHE . 91.4 m-85 -117.98 127.53 53.91 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -98.35 117.18 32.19 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.438 1.086 . . . . 0.0 110.275 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -90.82 150.23 21.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.7 pttp -52.3 -41.29 62.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.515 ' HA ' ' CG ' ' A' ' 83' ' ' HIS . 63.4 m-20 -157.03 169.99 23.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -50.58 -34.86 27.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.38 -63.06 1.35 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -46.04 -54.96 7.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 110.323 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.511 ' HG2' ' CD1' ' A' ' 85' ' ' PHE . 13.6 tmm? -58.61 -63.89 1.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.459 ' C ' ' O ' ' A' ' 105' ' ' MET . 7.9 t -34.92 -42.85 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.971 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.42 ' O ' HG21 ' A' ' 111' ' ' VAL . 0.3 OUTLIER -66.02 -51.48 57.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.041 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.578 ' CH2' ' HG2' ' A' ' 10' ' ' MET . 34.7 m95 -47.98 -63.16 1.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.584 HD21 ' CD2' ' A' ' 85' ' ' PHE . 0.5 OUTLIER -43.51 -50.26 7.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 45.5 ttt180 -56.8 -36.58 70.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.337 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.475 ' CG1' HD21 ' A' ' 39' ' ' LEU . 19.9 t -78.52 -59.11 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.471 ' N ' ' O ' ' A' ' 108' ' ' TRP . 83.8 t -46.65 -36.94 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -72.52 -36.6 68.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 111' ' ' VAL . . . -71.43 -18.9 62.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -88.61 -44.03 10.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.459 1.099 . . . . 0.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 45.2 mt -54.84 -56.92 8.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -53.88 -42.53 68.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.0 m -78.55 61.36 2.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.029 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -92.43 -160.83 36.15 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 132.88 15.87 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.494 1.786 . . . . 0.0 110.966 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 32.0 p 57.5 63.27 1.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.987 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 47.0 t -130.07 121.83 27.15 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 0.0 109.972 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 O-C-N 124.473 1.108 . . . . 0.0 111.031 179.961 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.057 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.2 t -75.95 -58.65 3.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 0.784 . . . . 0.0 110.023 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m -159.05 150.21 20.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.998 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.85 101.9 0.7 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 t -107.38 133.21 52.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.765 . . . . 0.0 109.985 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.412 ' HA ' ' NE ' ' A' ' 41' ' ' ARG . 87.9 p -51.32 140.3 17.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 110.008 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.39 -147.11 18.93 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.483 1.114 . . . . 0.0 110.951 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -106.35 110.65 22.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 0.763 . . . . 0.0 110.278 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.25 158.68 15.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.523 ' HG2' ' CZ3' ' A' ' 108' ' ' TRP . 7.2 ttt -155.89 132.08 10.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.443 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 8.0 pt-20 -144.23 125.03 14.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -168.29 157.99 30.49 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.523 1.14 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.483 ' O ' ' CD1' ' A' ' 14' ' ' LEU . 1.9 mmt -58.85 124.53 20.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 0.78 . . . . 0.0 110.986 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.488 ' CD2' ' HB3' ' A' ' 97' ' ' PHE . 1.3 mp -143.84 156.85 44.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 97' ' ' PHE . 0.3 OUTLIER -98.11 96.3 8.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 108.257 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.545 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 10.2 ttp180 -88.62 119.49 29.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.281 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -124.08 97.78 5.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.464 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 20.6 tt0 -64.41 112.36 3.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 110.331 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.467 ' OE2' ' N ' ' A' ' 96' ' ' LEU . 1.9 mp0 -93.25 -46.61 7.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 110.35 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.5 ' CE ' ' O ' ' A' ' 25' ' ' LYS . 91.0 mmm -127.04 154.23 44.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -110.68 -12.72 14.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.329 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 175.88 174.72 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.316 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -48.55 115.31 1.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 61.6 12.25 32.82 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.506 1.129 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.5 ' O ' ' CE ' ' A' ' 20' ' ' MET . 0.0 OUTLIER -96.77 127.71 43.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 0.787 . . . . 0.0 109.248 -179.94 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.4 ptpt -93.86 138.63 31.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.242 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.464 ' CB ' ' HG2' ' A' ' 18' ' ' GLN . . . -78.6 133.49 37.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.44 -69.06 0.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -106.93 121.94 45.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 28.9 mtm180 -115.87 62.57 0.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.329 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.86 158.22 24.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 0.0 109.974 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 85.1 m95 -79.67 132.32 36.19 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -147.16 134.63 20.84 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.52 103.76 1.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.348 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.481 ' CG1' ' HB3' ' A' ' 46' ' ' PHE . 33.2 t -124.46 125.14 69.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.107 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.427 ' CZ ' ' HB2' ' A' ' 50' ' ' ALA . 54.8 t80 -71.82 111.6 7.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.608 ' SG ' ' CE1' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -77.22 127.17 32.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 108.305 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 52.2 t -123.34 105.43 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.242 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.569 ' CD1' ' CD1' ' A' ' 67' ' ' LEU . 0.9 OUTLIER -99.5 144.6 28.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.472 ' O ' ' N ' ' A' ' 42' ' ' GLY . 3.4 tpt180 -144.61 -145.77 0.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 110.323 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.421 ' NH1' ' HB3' ' A' ' 41' ' ' ARG . 5.4 mmm180 -66.0 66.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.357 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 40' ' ' ARG . . . 71.45 50.88 19.0 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.54 1.15 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 79.4 p -160.1 127.09 4.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 0.792 . . . . 0.0 109.945 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 19.6 tp -110.86 105.31 14.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -98.27 145.14 17.64 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.472 1.108 . . . . 0.0 111.038 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.519 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 64.9 m-85 -106.1 137.71 43.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.763 . . . . 0.0 111.035 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.519 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 16.7 m-85 -143.17 167.9 21.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.932 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.5 ttpt -61.09 -55.79 28.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -154.97 -175.31 5.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.427 ' HB2' ' CZ ' ' A' ' 36' ' ' TYR . . . -67.83 -17.71 64.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.0 mmtp -84.01 -22.28 31.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -90.63 -26.42 19.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.466 ' HA ' ' CD2' ' A' ' 47' ' ' TYR . . . -73.26 -42.15 62.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.13 -39.38 89.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.981 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.53 -4.31 45.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.328 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 65.82 29.44 75.07 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.553 1.158 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 46.8 t -96.5 116.57 66.2 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.497 0.763 . . . . 0.0 109.292 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 140.96 26.08 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.484 1.781 . . . . 0.0 111.016 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -43.06 -64.58 0.61 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.999 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -129.18 5.43 5.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.593 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 97.69 7.79 56.39 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.49 1.119 . . . . 0.0 110.984 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.44 ' O ' ' O ' ' A' ' 63' ' ' VAL . 54.6 mt-10 -70.36 100.61 1.77 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 0.754 . . . . 0.0 110.319 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.44 ' O ' ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -42.94 166.99 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 163.27 35.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.527 1.804 . . . . 0.0 110.955 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 19.4 m -107.46 122.87 62.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.351 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 13.6 t -58.79 136.78 57.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.992 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.569 ' CD1' ' CD1' ' A' ' 39' ' ' LEU . 90.2 mt -104.3 50.43 0.79 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.44 ' O ' ' O ' ' A' ' 67' ' ' LEU . . . -57.82 -114.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.0 mmt180 -84.72 14.83 4.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.316 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -43.64 165.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -123.21 146.69 47.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.279 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.491 ' C ' ' CD1' ' A' ' 109' ' ' LEU . . . -133.7 108.82 0.76 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.544 1.153 . . . . 0.0 110.981 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.5 t -132.4 160.21 37.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 0.755 . . . . 0.0 110.036 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.49 ' CG2' ' HE2' ' A' ' 105' ' ' MET . 49.9 t -74.33 154.19 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -96.4 63.24 2.13 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -48.1 -49.41 31.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.957 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -42.42 -59.74 1.75 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.461 ' CZ ' ' HB2' ' A' ' 81' ' ' ARG . 0.3 OUTLIER -43.91 106.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 23.4 ttt180 -97.55 -41.34 8.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.278 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -49.97 -78.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.461 ' HB2' ' CZ ' ' A' ' 78' ' ' TYR . 58.6 mtt-85 -69.54 174.61 4.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 110.32 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 26.2 mttt -133.84 159.78 39.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 52.4 68.4 0.83 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 109.586 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.461 ' CG2' ' HG3' ' A' ' 98' ' ' GLN . 82.0 t -138.5 137.86 43.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.617 ' CD2' HD21 ' A' ' 109' ' ' LEU . 3.6 p90 -128.99 149.0 51.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.9 125.62 44.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 36.2 tp -107.68 112.12 24.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.263 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -110.1 115.71 4.21 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.467 1.104 . . . . 0.0 111.021 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.406 ' N ' HD22 ' A' ' 89' ' ' LEU . 6.7 mt -73.5 -173.0 1.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 0.751 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -93.71 -1.24 55.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.266 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -108.06 22.34 16.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.088 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 67.37 28.13 73.61 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.546 1.154 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.74 105.45 16.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 0.78 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -100.43 143.57 30.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.443 ' HB3' ' CE2' ' A' ' 97' ' ' PHE . 65.4 m-85 -136.21 158.24 44.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 111.023 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.467 ' N ' ' OE2' ' A' ' 19' ' ' GLU . 27.2 mt -126.72 120.56 29.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.608 ' CE1' ' SG ' ' A' ' 37' ' ' CYS . 94.4 m-85 -124.86 137.07 54.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.461 ' HG3' ' CG2' ' A' ' 84' ' ' VAL . 10.3 tt0 -112.16 114.1 26.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.269 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.416 ' HA ' ' CD1' ' A' ' 14' ' ' LEU . . . -81.27 169.78 16.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.0 pttt -64.76 -34.17 77.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -165.99 -179.44 5.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.336 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -52.63 -35.61 54.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 110.26 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.21 -70.62 0.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.099 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -46.4 -44.63 17.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.49 ' HE2' ' CG2' ' A' ' 74' ' ' VAL . 14.2 ttp -63.26 -68.53 0.33 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 111.02 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 37.0 t -41.72 -44.68 3.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.001 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 108' ' ' TRP . 0.3 OUTLIER -57.12 -55.22 37.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 1.17 . . . . 0.0 109.995 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.523 ' CZ3' ' HG2' ' A' ' 10' ' ' MET . 37.4 m95 -41.28 -65.62 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 108.024 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.617 HD21 ' CD2' ' A' ' 85' ' ' PHE . 1.0 OUTLIER -41.58 -56.99 2.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 42.3 ttt-85 -50.48 -36.45 33.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.426 1.079 . . . . 0.0 110.28 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.474 ' CG1' HD22 ' A' ' 39' ' ' LEU . 7.3 t -78.35 -59.85 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 69.5 t -46.76 -43.14 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.321 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -67.04 -37.07 83.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 111' ' ' VAL . . . -66.04 -18.83 65.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -91.04 -38.39 12.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 17.5 mt -69.11 -36.63 74.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.04 -47.91 64.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.7 m -93.78 43.42 1.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 109.978 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -86.43 -162.12 36.6 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 166.05 30.03 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.493 1.786 . . . . 0.0 110.979 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 71.6 m 64.92 86.0 0.13 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.98 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 53.0 p -119.31 -175.89 3.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 110.023 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.536 1.147 . . . . 0.0 110.996 179.991 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -54.0 144.01 20.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 0.737 . . . . 0.0 109.966 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 t -73.11 131.34 41.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.96 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.9 143.6 6.0 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.54 1.15 . . . . 0.0 110.992 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.6 m -100.68 97.24 7.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 0.79 . . . . 0.0 110.01 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -72.79 134.42 44.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.96 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.08 104.36 1.72 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -127.98 106.39 9.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 0.772 . . . . 0.0 110.268 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -98.06 151.69 20.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.291 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.568 ' HG2' ' CH2' ' A' ' 108' ' ' TRP . 7.6 ttt -154.54 127.37 8.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.951 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.413 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 6.9 pt-20 -143.25 124.96 14.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.16 161.32 34.92 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.481 1.113 . . . . 0.0 111.033 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.479 ' O ' ' CD1' ' A' ' 14' ' ' LEU . 1.8 mmt -59.44 125.66 24.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 0.789 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.479 ' CD1' ' O ' ' A' ' 13' ' ' MET . 1.4 mp -145.53 154.69 42.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.441 ' O ' ' HA ' ' A' ' 97' ' ' PHE . 0.5 OUTLIER -96.53 95.48 8.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 108.285 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.575 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 8.9 ttp180 -87.95 119.97 28.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.42 ' HD2' ' NE1' ' A' ' 32' ' ' TRP . 0.7 OUTLIER -123.94 108.37 12.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.482 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 45.8 tt0 -70.01 111.52 5.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.332 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -87.97 -46.19 9.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.325 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 85.9 mmm -137.64 141.99 41.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -100.1 -10.67 21.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.301 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -179.91 174.46 0.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -52.98 119.74 5.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 59.84 15.38 34.45 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.5 ' CE ' ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -109.28 123.99 50.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 0.749 . . . . 0.0 109.286 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.5 ' O ' ' CE ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -87.13 149.14 24.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.482 ' CB ' ' HG2' ' A' ' 18' ' ' GLN . . . -67.5 153.0 44.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 109.345 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -43.16 -80.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -83.01 -53.6 5.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.09 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.423 ' CG ' ' O ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER 72.19 47.89 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.312 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.1 p -120.59 166.35 13.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.038 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.473 ' CZ2' ' OH ' ' A' ' 78' ' ' TYR . 82.0 m95 -82.67 128.42 34.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 108.04 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -142.83 133.46 25.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.297 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -66.85 103.59 1.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 109.311 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.468 ' CG1' ' HB3' ' A' ' 46' ' ' PHE . 38.4 t -125.74 127.31 71.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.459 ' CE2' HG21 ' A' ' 38' ' ' VAL . 59.5 t80 -74.8 114.31 13.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 110.988 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.603 ' SG ' ' CE1' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -78.36 132.98 37.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 108.29 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.459 HG21 ' CE2' ' A' ' 36' ' ' TYR . 87.1 t -132.43 105.59 9.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.483 ' CD1' ' CD1' ' A' ' 67' ' ' LEU . 0.8 OUTLIER -96.21 135.53 37.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -169.08 139.34 2.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.257 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 51.25 28.81 4.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.322 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 70.82 45.23 53.35 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 95.4 p -146.7 123.21 11.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 0.781 . . . . 0.0 109.978 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 32.2 tp -89.87 111.38 22.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.67 154.02 19.27 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.512 1.133 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.478 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 31.4 m-85 -116.06 133.9 55.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.772 . . . . 0.0 111.018 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.478 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 34.3 m-85 -144.66 161.56 38.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.965 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.62 -67.67 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -152.23 -175.78 5.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.2 -13.84 31.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -79.98 -30.96 39.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.153 . . . . 0.0 109.278 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . -84.58 -54.65 4.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -41.26 -48.68 3.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.12 -43.33 99.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 110.023 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 52' ' ' ALA . . . -76.66 -1.42 27.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.156 . . . . 0.0 109.26 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 52' ' ' ALA . . . 58.45 36.04 82.47 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.486 1.116 . . . . 0.0 110.95 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 91.8 t -103.23 122.3 45.75 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.51 0.771 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 133.41 16.59 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.495 1.787 . . . . 0.0 110.979 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -47.67 -65.17 0.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 111.026 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -120.1 40.36 3.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 109.587 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 54.87 22.11 25.74 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.46 1.1 . . . . 0.0 110.981 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -87.13 136.18 33.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 0.76 . . . . 0.0 110.344 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -79.88 171.74 11.64 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 144.9 30.75 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 0.0 111.028 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 16.6 m -90.13 126.74 42.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.4 m -69.66 124.75 24.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.022 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.483 ' CD1' ' CD1' ' A' ' 39' ' ' LEU . 6.2 mt -88.89 43.01 1.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.471 ' CB ' ' HG3' ' A' ' 120' ' ' PRO . . . -88.27 122.31 31.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 59.43 22.34 10.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -84.66 170.66 13.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.577 1.173 . . . . 0.0 109.341 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -130.23 139.44 50.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.344 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -135.41 110.53 0.83 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.471 1.107 . . . . 0.0 111.009 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.2 t -137.92 161.29 37.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 0.778 . . . . 0.0 109.999 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.466 ' CG2' ' HE3' ' A' ' 105' ' ' MET . 36.0 t -65.01 147.25 12.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -97.38 53.13 1.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -46.06 -42.99 14.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.977 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 51.6 t0 -45.59 -53.99 8.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.473 ' OH ' ' CZ2' ' A' ' 32' ' ' TRP . 3.2 t80 -43.57 128.06 5.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.75 57.44 1.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -138.9 -55.5 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 -108.22 -172.99 2.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 110.291 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.429 ' C ' ' CG ' ' A' ' 83' ' ' HIS . 31.3 mttt -124.49 159.23 31.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.429 ' CG ' ' C ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER 49.96 67.27 0.93 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.414 1.071 . . . . 0.0 109.62 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.466 ' CG2' ' HG3' ' A' ' 98' ' ' GLN . 87.6 t -130.32 128.25 63.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.582 ' CD2' HD21 ' A' ' 109' ' ' LEU . 14.5 p90 -126.76 143.49 51.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 13.2 ttmt -89.78 149.88 22.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 46.3 tp -134.04 98.84 4.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -95.46 114.37 4.86 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.8 mt -72.75 -168.24 0.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 0.761 . . . . 0.0 109.314 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -98.43 -13.17 20.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.267 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -99.54 29.1 4.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 62.09 33.34 85.45 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.463 1.102 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.67 107.92 19.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 0.779 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -104.55 135.01 46.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 110.282 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 -132.58 156.12 47.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.421 ' O ' ' O ' ' A' ' 15' ' ' CYS . 55.6 mt -126.39 120.54 30.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.603 ' CE1' ' SG ' ' A' ' 37' ' ' CYS . 95.9 m-85 -119.38 121.18 38.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 110.975 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.466 ' HG3' ' CG2' ' A' ' 84' ' ' VAL . 31.1 tt0 -95.85 103.83 15.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 110.331 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -64.95 179.49 0.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 109.31 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.7 pttt -86.09 -34.18 20.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -155.15 177.06 11.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.259 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -53.66 -49.89 66.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 110.288 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' A' ' 104' ' ' GLU . . . -52.19 -67.72 0.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 103' ' ' ALA . 1.0 OUTLIER -37.19 -51.58 1.02 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.264 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.535 ' C ' ' SD ' ' A' ' 105' ' ' MET . 3.6 tmm? -58.16 -71.79 0.1 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 111.04 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.533 ' N ' ' SD ' ' A' ' 105' ' ' MET . 0.4 OUTLIER -35.24 -49.06 0.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.986 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.59 -53.3 59.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.021 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.579 ' CH2' ' HB3' ' A' ' 37' ' ' CYS . 22.0 m95 -49.08 -49.49 41.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 108.005 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.582 HD21 ' CD2' ' A' ' 85' ' ' PHE . 2.5 mm? -58.39 -48.12 81.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 38.7 ttt180 -60.32 -41.4 93.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.276 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.469 ' CG1' HD21 ' A' ' 39' ' ' LEU . 17.8 t -70.92 -58.22 5.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 73.7 t -49.86 -35.54 10.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.435 ' ND2' ' O ' ' A' ' 109' ' ' LEU . 13.0 m-80 -72.12 -38.34 69.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.52 -17.65 64.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -91.13 -44.45 9.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 46.0 mt -56.51 -58.51 5.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -53.57 -60.31 3.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 119' ' ' GLY . 2.1 t -48.12 105.4 0.07 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.986 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 118' ' ' SER . . . -34.76 130.36 0.58 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.471 ' HG3' ' CB ' ' A' ' 68' ' ' ALA . 18.3 Cg_endo -74.98 88.92 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.502 1.79 . . . . 0.0 110.979 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 70.3 m 59.77 114.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.498 1.124 . . . . 0.0 109.988 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 30.1 t 63.09 97.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.955 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.498 1.124 . . . . 0.0 110.985 179.992 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.94 158.01 15.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 0.798 . . . . 0.0 109.952 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.44 -58.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 0.0 109.98 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.8 -126.48 7.93 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -59.27 104.1 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 0.747 . . . . 0.0 110.0 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -117.08 -54.27 2.42 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.518 1.136 . . . . 0.0 109.98 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.43 -154.25 7.38 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.535 1.147 . . . . 0.0 111.025 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.433 ' N ' ' OE1' ' A' ' 8' ' ' GLU . 7.2 mp0 -85.88 102.15 13.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 0.79 . . . . 0.0 110.302 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -99.91 160.42 14.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 110.336 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.505 ' HE2' ' CD1' ' A' ' 108' ' ' TRP . 7.1 ttt -166.2 129.54 2.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 111.02 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -144.35 132.94 22.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -172.21 171.28 44.13 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.463 1.102 . . . . 0.0 110.983 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.466 ' O ' ' CD1' ' A' ' 14' ' ' LEU . 1.0 OUTLIER -72.87 120.43 18.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 110.998 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.466 ' CD1' ' O ' ' A' ' 13' ' ' MET . 1.5 mp -140.63 155.47 46.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.463 ' O ' ' HA ' ' A' ' 97' ' ' PHE . 0.3 OUTLIER -95.71 95.47 8.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 108.281 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.568 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 12.0 ttp180 -87.33 119.36 27.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.325 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.1 tttt -122.73 94.97 4.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.474 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 9.7 tt0 -59.21 109.56 0.89 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 110.245 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -90.53 -54.11 4.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.276 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 7.2 mtp -117.55 142.53 47.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -111.18 -15.78 13.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 110.323 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.49 ' HA ' ' O ' ' A' ' 92' ' ' GLY . . . -169.94 164.67 9.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -45.63 121.16 2.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 111.039 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 53.6 19.32 9.27 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.459 1.1 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.45 ' CB ' ' HB3' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -110.71 125.94 54.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 0.737 . . . . 0.0 109.332 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.428 ' O ' ' CE ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -92.84 137.54 32.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.474 ' CB ' ' HG2' ' A' ' 18' ' ' GLN . . . -71.21 140.3 50.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 27' ' ' ALA . . . -40.12 -78.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.0 p-10 -90.38 134.83 34.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.8 mtm180 -128.18 54.24 1.75 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.311 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.6 m -108.24 160.04 16.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.999 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.55 ' CZ2' ' OH ' ' A' ' 78' ' ' TYR . 85.7 m95 -83.58 133.13 34.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 107.989 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -146.34 133.41 20.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -65.94 103.71 0.98 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.47 ' CG1' ' HB3' ' A' ' 46' ' ' PHE . 80.2 t -120.93 129.72 75.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.414 ' CE2' ' HA ' ' A' ' 50' ' ' ALA . 6.5 t80 -76.22 109.77 10.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.974 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.61 ' SG ' ' CE1' ' A' ' 97' ' ' PHE . 0.5 OUTLIER -76.92 132.94 39.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 108.339 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 70.0 t -133.84 105.63 7.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.47 HD11 ' CD1' ' A' ' 67' ' ' LEU . 0.7 OUTLIER -98.01 137.71 36.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -170.19 146.2 2.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.294 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.431 ' HB2' ' NH1' ' A' ' 41' ' ' ARG . 0.6 OUTLIER 42.9 30.53 0.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 110.313 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 69.27 54.78 11.97 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.517 1.135 . . . . 0.0 111.001 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -157.52 124.17 4.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 0.74 . . . . 0.0 109.989 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 27.2 tp -91.39 121.5 33.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -109.59 155.68 15.97 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.548 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 37.7 m-85 -122.41 136.99 55.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 0.762 . . . . 0.0 111.013 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.548 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 17.0 m-85 -146.36 152.73 39.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -40.59 -58.45 1.6 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.421 ' HA ' ' CE ' ' A' ' 13' ' ' MET . 2.4 m-20 -162.05 -173.45 3.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.414 ' HA ' ' CE2' ' A' ' 36' ' ' TYR . . . -63.85 -13.03 41.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.16 -19.14 30.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -97.37 -17.62 19.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.23 -38.38 63.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.57 -40.41 76.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 110.014 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -81.63 -7.7 59.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 62.7 49.57 71.91 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.457 1.098 . . . . 0.0 111.012 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 96.5 t -103.47 106.42 51.76 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.761 . . . . 0.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 128.68 11.68 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.513 1.796 . . . . 0.0 111.001 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -47.9 115.48 1.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.978 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 12.0 m170 50.63 22.13 1.03 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.608 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.67 33.9 50.57 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -85.71 127.42 34.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 0.775 . . . . 0.0 110.268 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -81.85 170.92 13.35 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.427 1.08 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 147.16 33.63 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.459 1.768 . . . . 0.0 111.027 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 19.6 m -90.04 125.63 42.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.3 p -69.21 127.04 31.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.006 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.47 ' CD1' HD11 ' A' ' 39' ' ' LEU . 12.9 mt -89.56 41.97 1.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -84.76 111.32 19.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.9 mtm180 70.28 18.44 6.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.317 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.412 ' CB ' ' HA ' ' A' ' 89' ' ' LEU . . . -83.06 172.32 12.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -150.07 133.79 16.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -112.51 116.79 4.15 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.486 1.116 . . . . 0.0 111.021 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.2 t -123.2 159.71 28.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 0.776 . . . . 0.0 110.011 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.551 HG13 ' CZ ' ' A' ' 76' ' ' PHE . 82.8 t -87.33 154.15 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -113.93 76.52 0.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.551 ' CZ ' HG13 ' A' ' 74' ' ' VAL . 62.4 m-85 -79.56 4.14 16.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 111.023 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -135.87 50.3 2.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.601 ' CD2' ' O ' ' A' ' 79' ' ' ARG . 36.0 t80 -109.28 -30.19 8.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.601 ' O ' ' CD2' ' A' ' 78' ' ' TYR . 1.4 ttt-85 60.55 179.2 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.283 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 76.24 -69.25 0.17 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.408 1.068 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 -108.19 -176.1 2.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.288 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 34.8 mttt -133.01 159.34 40.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.337 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 53.1 64.77 1.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.572 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.472 ' CG2' ' HG3' ' A' ' 98' ' ' GLN . 62.6 t -128.82 136.55 59.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.633 ' CZ ' ' HB2' ' A' ' 97' ' ' PHE . 19.1 p90 -127.04 139.97 52.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.442 ' CB ' HD21 ' A' ' 96' ' ' LEU . 26.5 ttmt -91.9 118.48 30.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.105 . . . . 0.0 109.246 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.414 HD22 ' CE2' ' A' ' 97' ' ' PHE . 35.3 tp -94.73 98.6 10.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.276 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -97.8 113.62 4.77 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.567 1.167 . . . . 0.0 111.003 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.412 ' HA ' ' CB ' ' A' ' 70' ' ' ALA . 16.7 mt -68.45 -130.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 0.766 . . . . 0.0 109.268 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.586 ' O ' ' CB ' ' A' ' 91' ' ' ASP . 2.7 pt20 -86.61 23.89 1.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.324 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.586 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 5.6 t0 88.71 -19.79 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.49 ' O ' ' HA ' ' A' ' 22' ' ' ALA . . . -89.16 9.93 74.99 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.509 1.131 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.4 ' NZ ' ' HB2' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -166.33 130.69 2.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 0.767 . . . . 0.0 109.279 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -142.24 119.72 11.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.317 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -115.94 165.52 13.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.442 HD21 ' CB ' ' A' ' 86' ' ' LYS . 13.0 mt -129.49 108.41 10.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.633 ' HB2' ' CZ ' ' A' ' 85' ' ' PHE . 98.5 m-85 -107.51 138.91 42.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.472 ' HG3' ' CG2' ' A' ' 84' ' ' VAL . 35.7 tt0 -113.48 99.98 8.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 110.294 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -58.56 175.63 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.39 -23.47 30.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -170.1 -176.56 2.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -56.62 -39.09 73.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.296 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.84 -71.49 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -40.93 -43.35 2.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 110.293 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.492 ' HE1' ' CG2' ' A' ' 74' ' ' VAL . 8.9 ttp -63.13 -68.95 0.3 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.7 t -45.3 -50.95 11.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.986 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.415 ' O ' ' HB3' ' A' ' 110' ' ' ARG . 0.3 OUTLIER -49.59 -59.07 4.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 110.04 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.579 ' CH2' ' HB3' ' A' ' 37' ' ' CYS . 24.0 m95 -42.95 -64.36 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 107.996 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.612 HD22 ' CD2' ' A' ' 85' ' ' PHE . 1.0 OUTLIER -44.18 -50.56 8.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.415 ' HB3' ' O ' ' A' ' 107' ' ' SER . 19.0 ttp85 -57.27 -34.96 69.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 110.296 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.452 HG12 ' CD2' ' A' ' 39' ' ' LEU . 23.1 t -78.84 -59.67 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 92.4 t -46.6 -38.71 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -71.33 -37.13 71.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 111' ' ' VAL . . . -68.15 -17.35 64.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -92.16 -45.9 8.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 29.0 mt -55.95 -62.26 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -49.19 -63.15 1.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.14 . . . . 0.0 109.23 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 6.3 t -45.37 -54.9 6.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.996 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 98.1 161.78 30.69 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.495 1.122 . . . . 0.0 110.972 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 72.06 4.81 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.548 1.815 . . . . 0.0 110.99 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 4.7 t 64.72 103.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.966 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 54.0 p -90.38 153.22 20.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.01 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 -179.994 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.964 -0.855 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.26 85.12 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 0.756 . . . . 0.0 109.995 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.3 m -55.81 -57.03 13.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 109.994 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.45 -104.37 1.31 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.4 m -93.24 125.0 37.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 0.767 . . . . 0.0 110.037 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.9 p -169.02 168.93 9.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.39 1.056 . . . . 0.0 110.017 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.61 113.66 0.37 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.546 1.154 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -123.37 104.94 9.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 0.802 . . . . 0.0 110.252 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.439 ' CG ' ' HA ' ' A' ' 40' ' ' ARG . 7.6 mp0 -98.41 144.89 27.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.256 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.53 ' HG2' ' CZ2' ' A' ' 108' ' ' TRP . 7.1 ttt -143.35 128.07 18.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.447 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 8.2 pt-20 -142.07 124.41 15.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 110.264 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.44 159.72 32.68 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.539 1.149 . . . . 0.0 111.005 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.493 ' O ' ' CD1' ' A' ' 14' ' ' LEU . 1.8 mmt -58.49 124.44 19.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 0.795 . . . . 0.0 111.033 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.494 ' CD2' ' HB3' ' A' ' 97' ' ' PHE . 1.5 mp -145.64 154.77 42.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.449 ' O ' ' HA ' ' A' ' 97' ' ' PHE . 0.5 OUTLIER -97.35 97.14 8.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 108.328 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.562 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 15.6 ttp180 -87.44 120.1 28.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 110.265 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.516 ' HD2' ' CE2' ' A' ' 32' ' ' TRP . 6.0 tttt -124.86 97.92 5.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.484 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 14.2 tt0 -59.06 109.28 0.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.269 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -85.94 -48.36 8.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 72.6 mmm -130.49 148.84 52.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 111.013 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.4 ' O ' ' CG ' ' A' ' 21' ' ' GLU . 7.1 tt0 -106.49 -11.62 15.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.316 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . 176.98 158.89 0.35 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -39.9 109.02 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 110.941 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.01 -39.21 3.1 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.514 1.134 . . . . 0.0 111.034 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -68.04 126.34 29.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 0.73 . . . . 0.0 109.327 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.41 ' N ' ' HE3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -105.6 139.6 39.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.484 ' CB ' ' HG2' ' A' ' 18' ' ' GLN . . . -56.38 135.83 53.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.085 . . . . 0.0 109.251 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.99 -67.45 0.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.107 . . . . 0.0 109.319 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -54.33 -66.77 0.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.346 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 52.12 50.46 18.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 110.29 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 66.0 m -119.7 167.12 12.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.979 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.516 ' CE2' ' HD2' ' A' ' 17' ' ' LYS . 86.6 m95 -88.74 127.53 35.6 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 30.5 mt-30 -146.95 135.63 22.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -68.78 103.74 1.85 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.492 ' CG1' ' HB3' ' A' ' 46' ' ' PHE . 23.5 t -125.06 124.01 66.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.539 ' CE1' ' HB1' ' A' ' 50' ' ' ALA . 57.3 t80 -72.68 111.76 8.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.625 ' SG ' ' CE1' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -76.82 131.44 38.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 108.327 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.455 HG22 ' CD2' ' A' ' 36' ' ' TYR . 19.0 t -128.88 105.01 12.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.45 HD21 ' CG1' ' A' ' 111' ' ' VAL . 0.7 OUTLIER -101.32 144.07 30.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 0.0 109.276 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 42' ' ' GLY . 1.5 tpt180 -137.83 -149.04 0.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.315 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 65.7 mtt85 -65.86 71.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 110.306 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 40' ' ' ARG . . . 74.8 55.38 5.4 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.416 ' O ' ' HA ' ' A' ' 39' ' ' LEU . 55.6 p -160.45 165.96 30.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 0.786 . . . . 0.0 110.012 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 46.9 tp -150.42 99.7 2.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -98.21 150.95 19.53 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.483 1.114 . . . . 0.0 111.048 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.59 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 64.2 m-85 -109.22 143.11 39.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 0.786 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.59 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 28.1 m-85 -149.89 156.07 41.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.991 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.5 ttpt -48.64 -63.99 0.93 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -147.18 -176.46 5.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.324 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.539 ' HB1' ' CE1' ' A' ' 36' ' ' TYR . . . -65.44 -18.52 65.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.3 mmmt -83.93 -17.75 39.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.425 1.078 . . . . 0.0 109.307 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 57' ' ' VAL . . . -96.55 -15.0 21.86 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.423 1.077 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -85.55 -46.21 11.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.18 -38.82 90.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.996 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.12 -19.37 58.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.123 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 79.31 35.81 28.79 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.438 1.086 . . . . 0.0 111.016 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.403 ' N ' ' O ' ' A' ' 52' ' ' ALA . 39.8 t -103.44 119.37 55.16 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.472 0.748 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 134.93 18.39 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.484 1.781 . . . . 0.0 110.937 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -47.22 -65.49 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 111.011 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.7 m170 -122.5 45.19 2.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.589 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 53.68 19.2 9.25 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.47 1.107 . . . . 0.0 110.964 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -75.25 159.84 31.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 0.735 . . . . 0.0 110.265 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -104.73 168.6 8.24 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 152.91 41.47 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.518 1.799 . . . . 0.0 110.965 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.442 ' HB ' ' CD1' ' A' ' 89' ' ' LEU . 27.2 m -101.19 124.42 54.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.67 127.28 32.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 110.01 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.442 ' CD1' HD12 ' A' ' 39' ' ' LEU . 12.8 mt -88.04 43.38 1.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -84.43 115.39 22.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 63.58 21.32 12.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -84.61 172.11 11.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -145.19 137.6 25.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -123.64 122.32 4.84 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.466 1.104 . . . . 0.0 110.96 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.83 158.3 44.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 0.783 . . . . 0.0 110.022 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.466 ' CG2' ' HE3' ' A' ' 105' ' ' MET . 45.2 t -73.74 155.07 6.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -105.96 77.56 1.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -67.09 -37.99 84.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 79' ' ' ARG . 1.1 m-20 -52.38 -54.45 31.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.453 ' OH ' ' CZ2' ' A' ' 32' ' ' TRP . 8.7 t80 -43.12 95.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 110.968 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -96.78 47.86 1.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 110.307 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.0 -63.04 1.41 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.258 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 13.7 mtt-85 -119.5 175.46 5.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.304 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.541 ' O ' ' CG ' ' A' ' 83' ' ' HIS . 6.8 mtpt -105.6 171.31 7.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.666 ' HD1' ' N ' ' A' ' 99' ' ' ALA . 15.7 p80 49.51 61.91 2.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.575 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.496 ' CG2' ' HG3' ' A' ' 98' ' ' GLN . 60.0 t -131.25 117.77 37.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.603 ' CZ ' ' HB2' ' A' ' 97' ' ' PHE . 11.4 p90 -125.37 139.41 53.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.562 1.164 . . . . 0.0 111.005 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.2 ttmt -88.35 143.78 26.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.102 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 56.5 tp -126.11 99.44 5.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -95.52 114.56 4.91 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.498 1.124 . . . . 0.0 111.016 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.442 ' CD1' ' HB ' ' A' ' 65' ' ' VAL . 5.2 mt -74.41 -175.99 2.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 0.792 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -88.5 -9.84 51.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 110.322 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -101.99 26.33 7.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 63.09 31.09 79.54 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.531 1.144 . . . . 0.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.85 108.7 20.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 0.756 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -102.6 140.96 36.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.16 . . . . 0.0 110.283 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.507 ' HB3' ' CE2' ' A' ' 97' ' ' PHE . 56.1 m-85 -136.52 149.89 48.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.464 1.102 . . . . 0.0 111.036 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.408 ' O ' ' O ' ' A' ' 15' ' ' CYS . 59.6 mt -121.12 111.98 18.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.342 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.625 ' CE1' ' SG ' ' A' ' 37' ' ' CYS . 95.8 m-85 -113.14 140.77 47.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.584 ' NE2' ' CE1' ' A' ' 83' ' ' HIS . 2.6 tt0 -115.46 114.07 24.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.298 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.666 ' N ' ' HD1' ' A' ' 83' ' ' HIS . . . -76.67 -132.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -124.08 -41.68 2.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -150.08 -173.93 4.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -67.02 -9.05 34.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 110.337 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 104' ' ' GLU . . . -89.19 -71.66 0.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 103' ' ' ALA . 2.0 tp10 -37.69 -44.27 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 110.307 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.473 ' CG ' ' CD1' ' A' ' 85' ' ' PHE . 5.2 ttp -68.15 -61.64 1.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 111.011 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.17 -39.44 0.92 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 110.005 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.86 -50.81 61.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 110.008 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.533 ' CH2' ' HB3' ' A' ' 37' ' ' CYS . 19.3 m95 -44.04 -62.15 1.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.579 HD22 ' CD2' ' A' ' 85' ' ' PHE . 0.4 OUTLIER -45.62 -51.59 11.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 24.7 ttp85 -55.55 -32.6 63.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.454 ' CG1' ' HB2' ' A' ' 10' ' ' MET . 20.3 t -80.94 -55.69 7.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 90.7 t -50.75 -39.36 18.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -71.86 -37.27 70.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -71.71 -16.01 62.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -91.4 -42.58 10.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 32.7 mt -55.65 -59.31 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.295 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 118' ' ' SER . . . -50.65 -58.65 5.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 117' ' ' ALA . 0.2 OUTLIER -38.47 -37.01 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.985 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -72.16 -152.0 1.39 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.45 1.094 . . . . 0.0 110.967 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -167.61 0.44 Allowed 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.515 1.797 . . . . 0.0 110.996 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.7 t 70.93 -66.67 0.28 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.993 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 6.1 t -109.55 168.79 9.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.004 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 179.995 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -166.48 112.9 0.84 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 0.76 . . . . 0.0 110.036 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.5 118.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 109.988 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.27 -70.7 0.04 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.527 1.142 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.3 t -162.14 150.6 14.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 0.778 . . . . 0.0 110.002 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -54.85 151.06 9.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 109.975 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.18 -157.24 9.28 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -85.26 93.78 8.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 0.76 . . . . 0.0 110.315 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -105.62 147.11 28.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.16 . . . . 0.0 110.265 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.525 ' HG2' ' CE2' ' A' ' 108' ' ' TRP . 7.1 ttt -146.48 131.46 18.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 111.048 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -144.82 131.44 19.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.301 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -172.51 163.29 35.3 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.418 1.074 . . . . 0.0 111.041 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.422 ' HE2' ' CG ' ' A' ' 49' ' ' ASP . 1.0 OUTLIER -66.46 116.55 7.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 0.789 . . . . 0.0 110.955 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.495 ' CD1' ' HA ' ' A' ' 99' ' ' ALA . 2.0 mp -134.97 152.41 51.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -91.53 96.47 10.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 108.273 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.574 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 16.7 ttp180 -88.11 119.48 28.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.334 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.439 ' O ' ' OE2' ' A' ' 19' ' ' GLU . 2.3 tttt -124.34 97.3 5.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.457 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 21.5 tt0 -61.59 123.58 18.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.477 ' OE2' ' N ' ' A' ' 96' ' ' LEU . 1.1 mp0 -106.6 -51.98 2.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.403 ' SD ' ' OE1' ' A' ' 94' ' ' GLU . 11.9 mtp -120.9 154.88 35.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.412 ' O ' ' CG ' ' A' ' 21' ' ' GLU . 11.4 tt0 -113.43 -11.62 13.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.148 . . . . 0.0 110.294 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 176.09 173.52 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -47.88 114.5 0.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 60.82 18.41 53.22 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.41 ' CG ' ' HB3' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -101.8 118.31 36.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 0.742 . . . . 0.0 109.339 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.5 pttm -85.9 124.39 32.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.266 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.457 ' CB ' ' HG2' ' A' ' 18' ' ' GLN . . . -67.8 145.2 54.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.22 -77.78 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.0 p-10 -94.77 126.98 40.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.3 mtm180 -130.72 61.72 1.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.66 158.3 18.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 110.018 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.438 ' CZ2' ' OH ' ' A' ' 78' ' ' TYR . 86.4 m95 -80.47 126.93 31.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 108.006 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -146.95 140.37 25.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.304 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.1 p-10 -70.39 103.96 2.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.456 ' CG1' ' HB3' ' A' ' 46' ' ' PHE . 26.0 t -120.7 126.14 74.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.123 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -72.65 106.45 4.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 111.031 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.62 ' SG ' ' CE1' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -77.66 128.42 34.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 108.285 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 64.3 t -125.75 104.93 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.464 HD13 ' CD1' ' A' ' 67' ' ' LEU . 0.6 OUTLIER -100.98 139.63 36.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.271 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 42' ' ' GLY . 2.3 tpt180 -134.97 -148.44 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 110.271 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.99 71.5 0.06 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 40' ' ' ARG . . . 74.19 56.07 5.4 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.483 1.114 . . . . 0.0 110.966 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.409 ' O ' ' HA ' ' A' ' 39' ' ' LEU . 59.3 p -160.31 166.54 29.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 0.768 . . . . 0.0 110.004 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.435 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 40.9 tp -150.23 98.82 2.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -97.92 146.03 18.04 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.522 1.139 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.589 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 65.4 m-85 -108.83 141.21 41.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 0.79 . . . . 0.0 110.952 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.589 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 21.5 m-85 -149.55 152.77 36.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.976 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.0 tptm -44.56 -62.39 1.21 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.422 ' CG ' ' HE2' ' A' ' 13' ' ' MET . 1.4 m-20 -155.98 -175.68 5.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.77 -13.52 34.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.6 mmmt -79.38 -38.69 34.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.12 -55.29 5.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.495 ' HA ' ' CD2' ' A' ' 47' ' ' TYR . . . -48.45 -42.14 31.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.3 t -59.46 -46.79 87.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.036 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -80.66 2.07 27.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 109.343 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 62.75 40.82 99.68 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 81.5 t -106.41 121.12 46.37 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.505 0.768 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 133.11 16.2 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.533 1.807 . . . . 0.0 110.965 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.441 ' CD2' ' CD2' ' A' ' 60' ' ' HIS . 25.7 t80 -47.08 -67.43 0.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.441 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 15.6 m170 -117.22 47.59 1.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.607 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 48.72 23.72 3.6 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.538 1.148 . . . . 0.0 111.019 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -81.16 159.41 24.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 0.74 . . . . 0.0 110.309 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.405 ' HB ' ' HD2' ' A' ' 64' ' ' PRO . 0.0 OUTLIER -105.13 168.9 7.73 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.405 ' HD2' ' HB ' ' A' ' 63' ' ' VAL . 18.3 Cg_endo -74.98 150.94 38.99 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.466 1.772 . . . . 0.0 111.022 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.435 ' CG2' ' HB3' ' A' ' 44' ' ' LEU . 27.2 m -99.78 124.89 53.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.277 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 58.3 m -73.47 127.39 32.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.969 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.464 ' CD1' HD13 ' A' ' 39' ' ' LEU . 9.3 mt -88.39 45.44 1.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -85.98 109.09 18.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.5 mtm180 69.87 19.39 7.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -81.21 175.71 10.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -149.99 135.0 17.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 110.321 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -119.63 126.8 6.88 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 110.951 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.79 159.78 40.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 0.748 . . . . 0.0 109.997 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.469 ' CG2' ' HE3' ' A' ' 105' ' ' MET . 37.7 t -79.43 151.38 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -97.38 80.97 2.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -72.29 -28.92 63.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 110.981 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.24 -53.82 38.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.438 ' OH ' ' CZ2' ' A' ' 32' ' ' TRP . 9.4 t80 -42.9 99.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -100.62 61.75 1.02 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.097 . . . . 0.0 110.335 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.38 -72.32 0.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.411 ' HB3' ' NE2' ' A' ' 98' ' ' GLN . 2.5 mpt_? -105.91 153.31 22.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.533 ' O ' ' CG ' ' A' ' 83' ' ' HIS . 8.8 mttp -89.26 171.0 10.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.69 ' HD1' ' N ' ' A' ' 99' ' ' ALA . 13.7 p80 49.36 63.8 2.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.607 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.481 ' CG2' ' HG3' ' A' ' 98' ' ' GLN . 62.8 t -130.57 117.29 38.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.601 ' CZ ' ' HB2' ' A' ' 97' ' ' PHE . 11.8 p90 -124.59 134.21 53.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 111.024 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -87.28 140.38 29.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 45.7 tp -122.59 101.06 7.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -99.33 114.21 4.96 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.4 ' CD1' ' HB ' ' A' ' 65' ' ' VAL . 7.4 mt -75.18 171.93 13.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 0.785 . . . . 0.0 109.359 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -75.96 -14.6 60.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 110.281 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.98 16.6 9.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.349 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 69.17 32.88 72.94 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.46 1.1 . . . . 0.0 111.026 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.411 ' NZ ' ' HB2' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -102.66 110.46 22.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 0.754 . . . . 0.0 109.327 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.403 ' OE1' ' SD ' ' A' ' 20' ' ' MET . 0.7 OUTLIER -100.43 136.89 39.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.318 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.408 ' C ' ' OE2' ' A' ' 19' ' ' GLU . 52.3 m-85 -133.84 154.21 51.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 111.016 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.477 ' N ' ' OE2' ' A' ' 19' ' ' GLU . 47.3 mt -125.5 121.26 33.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.252 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.62 ' CE1' ' SG ' ' A' ' 37' ' ' CYS . 77.7 m-85 -121.2 150.22 41.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.115 . . . . 0.0 110.954 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.607 ' HG2' ' CE1' ' A' ' 83' ' ' HIS . 6.3 tt0 -127.91 108.88 11.07 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.46 1.1 . . . . 0.0 110.295 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.69 ' N ' ' HD1' ' A' ' 83' ' ' HIS . . . -74.47 -132.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.13 -42.53 2.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.332 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -148.59 -175.49 4.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 109.301 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -65.84 -10.14 35.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.145 . . . . 0.0 110.326 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 104' ' ' GLU . . . -87.55 -71.67 0.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 103' ' ' ALA . 6.5 tp10 -38.45 -42.97 0.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.103 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.469 ' HE3' ' CG2' ' A' ' 74' ' ' VAL . 5.8 ttp -69.58 -61.06 1.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 111.015 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.1 m -40.64 -39.89 1.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 110.007 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.402 ' O ' ' HB3' ' A' ' 110' ' ' ARG . 0.3 OUTLIER -65.15 -51.51 60.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.023 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.525 ' CE2' ' HG2' ' A' ' 10' ' ' MET . 26.1 m95 -43.73 -64.54 0.64 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 108.003 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.588 HD23 ' CD2' ' A' ' 85' ' ' PHE . 0.5 OUTLIER -44.57 -51.89 8.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.257 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.402 ' HB3' ' O ' ' A' ' 107' ' ' SER . 32.1 ttp180 -54.56 -33.0 59.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.477 HG13 ' CB ' ' A' ' 10' ' ' MET . 16.1 t -81.17 -57.58 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 93.7 t -48.54 -40.38 10.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -71.41 -36.11 71.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -73.06 -16.29 61.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.343 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -92.01 -44.35 8.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 109.308 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.412 ' CG1' ' HB3' ' A' ' 67' ' ' LEU . 40.4 mt -53.66 -60.14 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -49.48 -60.54 2.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.39 -55.6 1.73 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 109.966 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 91.55 157.19 33.46 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.547 1.154 . . . . 0.0 111.022 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 168.02 25.75 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.526 1.803 . . . . 0.0 111.017 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.24 141.86 58.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.994 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.69 -56.87 4.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.975 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.468 1.105 . . . . 0.0 111.011 179.957 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 m 48.62 79.89 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 0.748 . . . . 0.0 109.993 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.9 t -156.07 -57.98 0.09 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.151 . . . . 0.0 110.0 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.82 115.8 0.72 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.5 1.125 . . . . 0.0 111.035 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 t -154.67 84.42 1.1 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 0.767 . . . . 0.0 109.975 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 t -177.95 124.92 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.988 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.38 58.12 9.2 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -126.8 120.2 28.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 0.749 . . . . 0.0 110.288 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.1 pm0 -104.61 144.74 31.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.474 ' HG2' ' CE2' ' A' ' 108' ' ' TRP . 9.0 ttt -143.32 134.56 25.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.449 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 1.3 pm0 -144.54 124.37 13.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 110.323 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -168.94 161.24 34.91 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.514 1.134 . . . . 0.0 111.011 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.477 ' O ' ' CD1' ' A' ' 14' ' ' LEU . 1.9 mmt -58.99 126.18 26.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 0.721 . . . . 0.0 111.039 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.489 ' CD2' ' HB3' ' A' ' 97' ' ' PHE . 1.4 mp -146.48 154.86 42.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.157 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.445 ' O ' ' HA ' ' A' ' 97' ' ' PHE . 0.5 OUTLIER -96.88 95.69 8.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 108.343 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.566 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 12.2 ttp180 -87.78 123.69 32.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.513 ' HD2' ' CE2' ' A' ' 32' ' ' TRP . 21.5 tttt -124.57 94.95 4.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.476 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 2.0 tp60 -60.08 122.54 14.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 110.32 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -107.06 -48.86 3.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.239 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.456 ' CE ' ' O ' ' A' ' 25' ' ' LYS . 90.2 mmm -130.53 140.65 50.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 111.054 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -107.78 -9.57 15.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.466 ' CA ' ' O ' ' A' ' 92' ' ' GLY . . . 172.09 153.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.343 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.549 ' CZ ' ' HB3' ' A' ' 91' ' ' ASP . 84.0 m-85 -39.65 115.45 0.52 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.19 -43.54 3.26 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.551 1.157 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.479 ' CE ' ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -60.11 119.99 8.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 0.797 . . . . 0.0 109.319 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.479 ' O ' ' CE ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -92.5 139.51 30.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.327 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.476 ' CB ' ' HG2' ' A' ' 18' ' ' GLN . . . -64.33 115.09 4.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.62 -67.56 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -92.28 107.56 19.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -107.86 54.8 0.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.32 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.58 163.99 17.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 110.025 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.527 ' CZ2' ' OH ' ' A' ' 78' ' ' TYR . 86.9 m95 -85.68 132.99 34.05 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -147.42 134.51 20.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.241 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -66.48 103.79 1.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.477 ' CG1' ' HB3' ' A' ' 46' ' ' PHE . 25.7 t -126.17 123.98 64.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 0.0 109.29 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -71.32 114.88 9.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 111.02 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.637 ' SG ' ' CE1' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -80.3 130.84 35.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 108.326 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.482 HG23 ' CD1' ' A' ' 47' ' ' TYR . 31.8 t -128.27 104.74 12.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.349 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.467 HD11 ' CD1' ' A' ' 67' ' ' LEU . 0.8 OUTLIER -101.1 144.12 30.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 42' ' ' GLY . 4.0 tpt180 -136.65 -148.04 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.339 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.67 69.09 0.07 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.503 1.127 . . . . 0.0 110.273 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 40' ' ' ARG . . . 77.28 56.2 4.06 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 54.0 p -160.17 167.01 28.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 0.764 . . . . 0.0 110.011 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 52.3 tp -150.1 99.36 2.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -98.32 151.76 19.66 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.504 1.128 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.616 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 61.4 m-85 -109.93 141.67 42.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.753 . . . . 0.0 110.976 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.616 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 19.7 m-85 -149.37 157.85 43.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.2 -67.05 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -151.28 -175.75 5.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.95 -13.88 29.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.279 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.57 -35.82 45.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -81.81 -42.19 20.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.98 -37.02 71.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.3 t -71.43 -37.75 71.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.013 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.86 12.54 14.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.267 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 47.48 40.38 16.26 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.9 t -104.51 120.71 49.62 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.53 0.782 . . . . 0.0 109.327 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 134.75 18.32 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.485 1.781 . . . . 0.0 111.012 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -48.17 -66.7 0.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 13.2 m170 -119.24 46.27 1.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.588 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 48.85 30.41 9.07 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.517 1.136 . . . . 0.0 111.024 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -87.19 162.74 17.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 110.25 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -105.77 168.53 8.13 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.45 1.094 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 149.36 36.87 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.549 1.815 . . . . 0.0 111.053 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 34.3 m -97.24 129.35 47.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 109.324 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.73 124.67 27.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.023 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.467 ' CD1' HD11 ' A' ' 39' ' ' LEU . 11.7 mt -84.14 49.9 1.74 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -83.89 118.99 24.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.132 . . . . 0.0 109.253 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 61.81 14.96 6.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -78.93 167.87 20.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.54 146.69 26.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 0.0 110.335 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.451 ' C ' ' CD1' ' A' ' 109' ' ' LEU . . . -116.47 123.38 5.83 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.9 t -138.0 152.47 48.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.469 0.747 . . . . 0.0 110.037 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.7 t -73.88 141.52 16.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -96.94 53.08 1.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.34 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -52.67 -19.33 2.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.945 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.85 -39.66 69.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.527 ' OH ' ' CZ2' ' A' ' 32' ' ' TRP . 21.9 t80 -52.09 115.92 1.94 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 111.028 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.1 mmt180 -112.32 78.67 1.14 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 110.269 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.34 -56.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -102.67 -179.33 3.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.281 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 19.5 mttp -120.14 150.94 39.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 46.06 78.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.597 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 84.0 t -136.0 128.98 46.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.319 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.609 ' CZ ' ' HB2' ' A' ' 97' ' ' PHE . 39.9 p90 -121.55 138.97 54.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.994 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.46 118.13 25.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.456 HD23 ' CE2' ' A' ' 97' ' ' PHE . 29.2 tp -94.39 98.26 10.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -94.68 114.34 4.8 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.457 1.098 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 5.8 mt -70.79 -119.61 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 0.74 . . . . 0.0 109.283 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.581 ' O ' ' CB ' ' A' ' 91' ' ' ASP . 0.4 OUTLIER -83.82 20.7 1.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.337 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.581 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 25.7 t0 89.03 -25.26 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.466 ' O ' ' CA ' ' A' ' 22' ' ' ALA . . . -88.03 -16.95 58.64 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.89 120.21 31.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 0.737 . . . . 0.0 109.315 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -127.53 144.39 51.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.462 ' HB3' ' CE2' ' A' ' 97' ' ' PHE . 79.4 m-85 -140.87 162.93 34.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 72.0 mt -132.48 112.01 11.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.637 ' CE1' ' SG ' ' A' ' 37' ' ' CYS . 92.7 m-85 -115.17 134.59 55.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.976 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -106.12 106.41 16.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 110.344 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.482 ' HA ' ' CD1' ' A' ' 14' ' ' LEU . . . -70.29 159.77 33.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.42 ' CG ' ' N ' ' A' ' 101' ' ' ASP . 0.0 OUTLIER -58.67 -47.08 85.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.42 ' N ' ' CG ' ' A' ' 100' ' ' LYS . 1.3 m-20 -156.23 -175.91 5.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.343 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -51.81 -31.05 25.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.346 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.33 -71.2 0.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.565 ' HG3' ' CD1' ' A' ' 108' ' ' TRP . 1.6 tt0 -46.99 -43.37 19.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.282 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 5.0 ttp -62.04 -69.65 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.959 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.3 t -43.01 -49.51 6.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.969 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.37 -55.83 29.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.993 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.565 ' CD1' ' HG3' ' A' ' 104' ' ' GLU . 19.5 m95 -43.91 -66.84 0.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 107.983 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.571 HD22 ' CG ' ' A' ' 85' ' ' PHE . 3.9 mm? -43.95 -50.55 8.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.346 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 -57.27 -41.97 80.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 0.0 110.306 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.478 ' O ' ' N ' ' A' ' 114' ' ' ALA . 17.8 t -71.62 -60.71 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 108' ' ' TRP . 77.2 t -43.84 -41.15 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -70.74 -38.4 73.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 111' ' ' VAL . . . -69.59 -20.45 63.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -86.67 -47.58 9.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.406 ' O ' ' C ' ' A' ' 117' ' ' ALA . 20.3 mt -45.04 -61.82 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 116' ' ' ILE . . . -40.08 -59.35 1.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 119' ' ' GLY . 0.2 OUTLIER -57.45 -68.25 0.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.988 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 118' ' ' SER . . . 34.58 -117.65 0.24 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 146.56 32.84 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.537 1.809 . . . . 0.0 110.988 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 95.3 p -126.28 156.4 40.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.113 . . . . 0.0 109.981 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 52.1 m 47.69 87.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.03 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.49 1.119 . . . . 0.0 110.995 -179.996 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.1 t -91.84 106.46 18.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 0.785 . . . . 0.0 110.02 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.2 m -163.09 143.15 9.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.979 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.61 -109.93 2.36 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.554 1.159 . . . . 0.0 111.004 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 t -61.81 163.14 7.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 0.771 . . . . 0.0 109.975 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.0 m -99.29 80.3 2.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.963 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.23 156.75 2.33 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.456 1.097 . . . . 0.0 111.01 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -87.46 101.12 13.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 0.732 . . . . 0.0 110.283 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -103.59 155.38 18.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.298 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.568 ' HG2' ' CH2' ' A' ' 108' ' ' TRP . 7.3 ttt -157.09 127.89 6.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.425 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 11.6 pt-20 -143.06 123.25 13.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.305 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.21 160.01 33.55 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.457 1.098 . . . . 0.0 111.048 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.483 ' O ' ' CD1' ' A' ' 14' ' ' LEU . 2.3 mmt -58.65 125.02 21.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 0.766 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.483 ' CD1' ' O ' ' A' ' 13' ' ' MET . 1.4 mp -146.87 150.65 35.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.265 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.45 ' O ' ' HA ' ' A' ' 97' ' ' PHE . 0.3 OUTLIER -93.67 96.32 9.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 108.319 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.561 ' HG3' ' CZ ' ' A' ' 97' ' ' PHE . 6.6 ttp180 -87.78 114.88 24.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 110.318 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.505 ' HD2' ' CE2' ' A' ' 32' ' ' TRP . 8.5 tttm -124.4 105.54 9.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.52 ' HG2' ' CE1' ' A' ' 95' ' ' TYR . 0.9 OUTLIER -58.53 147.76 30.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.289 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.45 ' N ' ' OE1' ' A' ' 18' ' ' GLN . 1.6 mm-40 -121.94 -46.96 2.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.256 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.43 ' N ' ' OE1' ' A' ' 18' ' ' GLN . 24.1 mtp -137.99 144.91 41.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.102 . . . . 0.0 110.985 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -98.88 -11.5 21.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.275 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 176.61 169.71 0.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -47.19 112.7 0.56 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.987 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.43 28.57 73.8 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.522 1.139 . . . . 0.0 110.963 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.51 ' CE ' ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -128.57 132.15 48.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 0.796 . . . . 0.0 109.287 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.51 ' O ' ' CE ' ' A' ' 25' ' ' LYS . 15.9 pttt -106.96 146.84 30.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.447 ' HB3' ' CD ' ' A' ' 30' ' ' ARG . . . -69.98 127.28 32.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.55 -76.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -110.24 95.96 5.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.447 ' CD ' ' HB3' ' A' ' 27' ' ' ALA . 0.5 OUTLIER -122.54 95.88 4.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.304 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.3 m -119.34 165.05 14.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.997 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.505 ' CE2' ' HD2' ' A' ' 17' ' ' LYS . 90.8 m95 -68.06 119.93 13.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 108.009 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -142.61 131.1 22.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -64.34 103.38 0.63 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.468 ' CG1' ' HB3' ' A' ' 46' ' ' PHE . 41.0 t -124.04 122.85 65.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.459 ' CZ ' ' HB3' ' A' ' 50' ' ' ALA . 57.7 t80 -72.28 111.05 7.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 111.022 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.569 ' HB3' ' CH2' ' A' ' 108' ' ' TRP . 0.1 OUTLIER -74.07 132.27 42.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 108.312 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.434 HG23 ' CD1' ' A' ' 47' ' ' TYR . 55.9 t -130.54 105.87 12.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.35 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.485 ' CD1' ' CD1' ' A' ' 67' ' ' LEU . 0.6 OUTLIER -99.71 139.56 35.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 178.08 137.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.266 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 67.88 7.92 6.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 110.312 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 87.78 27.88 25.42 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 17.4 p -134.29 134.61 42.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 0.761 . . . . 0.0 109.998 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 33.5 tp -96.55 112.71 24.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.259 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -103.27 143.07 15.67 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.46 1.1 . . . . 0.0 111.032 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.512 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 35.1 m-85 -104.8 139.97 38.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.771 . . . . 0.0 110.949 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.522 ' CD2' ' HA ' ' A' ' 53' ' ' ALA . 46.7 m-85 -148.35 168.65 22.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 111.04 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.8 ttpp -64.81 -58.84 5.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -150.59 -178.36 6.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.318 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.459 ' HB3' ' CZ ' ' A' ' 36' ' ' TYR . . . -63.4 -16.4 60.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.5 mmtt -87.51 -18.9 28.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 57' ' ' VAL . . . -95.11 -15.53 23.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 109.258 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.522 ' HA ' ' CD2' ' A' ' 47' ' ' TYR . . . -83.24 -46.8 12.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.5 t -67.8 -39.83 83.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.997 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.32 -10.84 60.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.96 26.88 71.56 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 52' ' ' ALA . 58.1 t -94.34 113.8 61.75 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 139.04 23.87 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.477 1.777 . . . . 0.0 111.045 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -48.17 -64.96 0.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -125.46 40.39 3.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.148 . . . . 0.0 109.556 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 58.38 16.35 27.8 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.512 1.132 . . . . 0.0 111.004 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -79.88 135.27 36.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 0.747 . . . . 0.0 110.279 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -77.24 168.9 24.14 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 143.35 28.95 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.498 1.788 . . . . 0.0 110.977 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 16.9 m -88.09 123.62 40.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.366 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.0 p -66.79 128.79 37.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.1 . . . . 0.0 109.995 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.485 ' CD1' ' CD1' ' A' ' 39' ' ' LEU . 9.0 mt -93.2 28.67 2.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -78.58 113.93 17.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.5 mtm180 69.18 18.4 8.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.297 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -79.38 171.54 15.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -129.76 129.19 43.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.268 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -118.26 112.39 2.38 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.111 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.21 160.18 39.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 110.004 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.571 HG23 ' CZ ' ' A' ' 76' ' ' PHE . 0.9 OUTLIER -84.83 163.69 2.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -125.65 67.14 1.16 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.571 ' CZ ' HG23 ' A' ' 74' ' ' VAL . 12.0 m-85 -57.39 -23.94 52.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 111.051 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.76 -28.04 63.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.434 ' OH ' ' CZ2' ' A' ' 32' ' ' TRP . 1.9 t80 -80.1 108.21 13.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 111.012 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.2 mtm-85 -93.34 -33.85 13.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.269 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.1 mmtp -44.51 -79.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.454 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 2.9 mpt_? -92.54 117.52 30.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.283 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.27 162.79 24.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.574 ' CD2' ' HA ' ' A' ' 101' ' ' ASP . 0.1 OUTLIER 50.43 66.16 1.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.578 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.454 ' CG2' ' O ' ' A' ' 81' ' ' ARG . 70.9 t -131.04 121.61 49.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.592 ' CD2' HD21 ' A' ' 109' ' ' LEU . 14.8 p90 -119.71 151.21 39.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 111.009 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.5 ttmt -98.55 137.57 37.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 47.3 tp -119.87 103.61 9.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -99.92 114.97 5.18 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.476 1.11 . . . . 0.0 110.976 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.403 ' N ' HD23 ' A' ' 89' ' ' LEU . 8.0 mt -75.96 170.55 16.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 0.775 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -75.64 -14.99 60.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.269 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -91.32 21.28 4.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 64.82 34.31 89.55 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.542 1.151 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.49 113.46 27.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 0.742 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -103.58 132.62 49.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.52 ' CE1' ' HG2' ' A' ' 18' ' ' GLN . 46.0 m-85 -129.16 158.54 38.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 17.0 mt -125.16 121.7 34.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.587 ' HB2' ' CZ ' ' A' ' 85' ' ' PHE . 98.1 m-85 -124.0 130.19 52.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 111.017 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.431 ' HG3' ' CG2' ' A' ' 84' ' ' VAL . 33.4 tt0 -104.16 119.81 39.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -83.88 170.9 13.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.401 ' O ' ' CG ' ' A' ' 101' ' ' ASP . 0.1 OUTLIER -75.97 -23.66 55.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.108 . . . . 0.0 109.291 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.574 ' HA ' ' CD2' ' A' ' 83' ' ' HIS . 61.0 m-20 -168.29 -175.92 2.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.253 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -63.22 -29.72 71.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.291 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.95 -66.87 0.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -38.76 -47.53 1.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.553 ' SD ' ' N ' ' A' ' 106' ' ' SER . 3.1 tmm? -62.55 -69.62 0.25 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.553 ' N ' ' SD ' ' A' ' 105' ' ' MET . 1.3 t -35.37 -47.25 0.42 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.999 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.95 -52.38 65.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.016 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.569 ' CH2' ' HB3' ' A' ' 37' ' ' CYS . 33.4 m95 -47.52 -66.13 0.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 108.028 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.592 HD21 ' CD2' ' A' ' 85' ' ' PHE . 1.2 mm? -42.85 -48.78 5.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 15.3 ttt85 -59.17 -38.0 78.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 110.29 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.462 ' CG1' HD22 ' A' ' 39' ' ' LEU . 21.7 t -76.63 -59.88 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.47 ' N ' ' O ' ' A' ' 108' ' ' TRP . 83.5 t -46.42 -36.58 2.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . 0.406 ' ND2' ' O ' ' A' ' 109' ' ' LEU . 14.1 m-80 -71.84 -37.75 70.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 111' ' ' VAL . . . -68.12 -16.48 64.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -92.98 -38.87 11.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 67.9 mt -63.35 -56.24 18.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 109.352 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -52.5 -47.05 66.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.4 m -78.86 54.41 1.55 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.026 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -111.16 -164.29 18.26 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 116.07 4.47 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.544 1.813 . . . . 0.0 110.979 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.74 169.51 2.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.996 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 72.47 -61.52 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.008 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 O-C-N 124.455 1.097 . . . . 0.0 111.007 -179.982 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t 63.34 106.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.572 0.807 . . . . 0.0 110.001 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.4 t 50.65 85.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.006 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.81 150.54 7.7 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.549 1.156 . . . . 0.0 110.931 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.82 152.56 17.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 0.766 . . . . 0.0 110.016 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.5 p -92.87 -67.71 0.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.994 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.11 -176.08 36.41 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.518 1.136 . . . . 0.0 110.981 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -121.41 127.4 51.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 110.257 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.2 pm0 -122.58 146.75 47.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.491 ' HG2' ' CZ3' ' A' ' 108' ' ' TRP . 7.9 ttt -146.81 129.57 16.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 110.96 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.444 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 7.7 pt-20 -138.64 126.58 22.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.59 153.62 22.1 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.495 1.122 . . . . 0.0 110.962 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.474 ' CE ' ' HA ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -58.69 123.22 15.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 0.782 . . . . 0.0 110.959 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.462 ' CD1' ' O ' ' A' ' 13' ' ' MET . 1.2 mp -141.25 157.55 45.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.429 ' O ' ' HA ' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -96.43 96.3 8.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.128 . . . . 0.0 108.254 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.529 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 8.8 ttp180 -88.63 121.18 30.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.508 ' HD2' ' CE2' ' A' ' 32' ' ' TRP . 16.5 tttt -124.86 98.3 5.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.494 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 38.7 tt0 -60.34 109.04 0.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.287 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -90.41 -46.48 8.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.27 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.467 ' CE ' ' O ' ' A' ' 25' ' ' LYS . 5.2 mtp -126.98 143.11 51.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.419 ' O ' ' CG ' ' A' ' 21' ' ' GLU . 9.9 tt0 -104.04 -10.76 17.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 174.84 171.84 0.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -48.4 113.83 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 110.979 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 65.54 17.83 64.97 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.454 1.096 . . . . 0.0 110.978 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.467 ' O ' ' CE ' ' A' ' 20' ' ' MET . 0.0 OUTLIER -109.21 127.58 54.35 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 0.78 . . . . 0.0 109.273 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.91 141.68 32.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.494 ' CB ' ' HG2' ' A' ' 18' ' ' GLN . . . -72.49 132.29 43.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.24 -68.05 0.21 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.258 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -57.43 -68.27 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.414 ' HA ' ' O ' ' A' ' 18' ' ' GLN . 5.5 ttt-85 51.47 47.66 24.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.47 147.81 44.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.035 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.599 ' CZ2' ' OH ' ' A' ' 78' ' ' TYR . 81.3 m95 -68.59 125.59 26.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 108.002 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -146.26 131.36 18.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.54 1.15 . . . . 0.0 110.265 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -66.29 103.75 1.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.476 ' CG1' ' HB3' ' A' ' 46' ' ' PHE . 46.3 t -123.9 124.59 69.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.564 ' CE1' ' HB3' ' A' ' 50' ' ' ALA . 21.8 t80 -69.49 114.82 8.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.644 ' SG ' ' CE1' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -80.75 126.59 31.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 108.316 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.3 t -124.6 103.99 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.576 ' CD1' ' CD1' ' A' ' 67' ' ' LEU . 1.2 tt -98.41 144.93 27.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.47 ' O ' ' N ' ' A' ' 42' ' ' GLY . 3.1 tpt180 -141.35 -146.41 0.19 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.12 66.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.329 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 40' ' ' ARG . . . 73.28 50.15 13.31 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.483 1.115 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.6 m -160.35 122.28 3.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 0.75 . . . . 0.0 110.03 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 27.0 tp -105.69 105.61 15.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -99.55 150.59 19.16 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.498 1.124 . . . . 0.0 111.033 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.518 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 60.1 m-85 -109.47 138.52 45.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 0.748 . . . . 0.0 110.983 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.518 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 15.5 m-85 -142.55 157.23 44.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.996 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 10.3 tptt -48.65 -61.74 1.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.474 ' HA ' ' CE ' ' A' ' 13' ' ' MET . 0.6 OUTLIER -155.5 -173.06 4.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.564 ' HB3' ' CE1' ' A' ' 36' ' ' TYR . . . -67.03 -10.54 50.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 36.4 mmtt -82.71 -23.29 34.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -96.71 -31.02 12.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.34 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.6 -41.41 90.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.341 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.7 t -78.93 -25.08 43.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.944 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.446 ' CB ' HG21 ' A' ' 57' ' ' VAL . . . -91.29 11.86 22.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 45.42 27.8 2.03 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.466 1.104 . . . . 0.0 111.013 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.446 HG21 ' CB ' ' A' ' 55' ' ' ALA . 45.9 t -99.92 121.6 53.58 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.521 0.777 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 147.68 34.33 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.487 1.782 . . . . 0.0 110.992 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -56.03 -67.17 0.32 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 110.966 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -120.73 45.63 2.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.103 . . . . 0.0 109.629 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 55.84 17.11 14.14 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.458 1.098 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -73.59 155.82 38.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 0.739 . . . . 0.0 110.349 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -102.89 168.46 8.79 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 147.72 34.31 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.499 1.789 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.8 m -95.61 121.89 46.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 31.4 t -54.84 129.96 39.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.983 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.576 ' CD1' ' CD1' ' A' ' 39' ' ' LEU . 91.1 mt -99.94 50.22 0.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.451 ' O ' ' O ' ' A' ' 67' ' ' LEU . . . -58.23 -116.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 70' ' ' ALA . 1.0 OUTLIER -83.0 14.82 3.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 110.28 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.408 ' O ' ' O ' ' A' ' 69' ' ' ARG . . . -42.02 163.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -123.48 133.69 54.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 110.322 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -124.14 109.2 1.24 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.458 1.099 . . . . 0.0 111.024 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 70.5 m -137.11 155.78 49.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 0.767 . . . . 0.0 110.023 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 55.9 t -64.84 155.98 6.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.523 ' O ' ' N ' ' A' ' 77' ' ' ASP . . . -77.36 -53.16 8.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.254 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.441 ' O ' ' N ' ' A' ' 78' ' ' TYR . 2.4 m-30 59.36 -76.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.418 1.074 . . . . 0.0 111.029 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.523 ' N ' ' O ' ' A' ' 75' ' ' ALA . 56.8 t0 -37.51 -33.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.599 ' OH ' ' CZ2' ' A' ' 32' ' ' TRP . 9.1 t80 -65.57 103.48 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 46.2 mtt180 -103.59 65.07 0.82 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -150.23 -65.55 0.2 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.148 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.424 ' HB3' ' NE2' ' A' ' 98' ' ' GLN . 38.3 mtt85 -99.09 135.88 39.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 110.33 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.421 ' C ' ' CG ' ' A' ' 83' ' ' HIS . 34.4 mttt -83.61 150.32 25.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.525 ' CD2' ' HA ' ' A' ' 101' ' ' ASP . 0.1 OUTLIER 59.08 68.41 0.82 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.58 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.461 ' CG2' ' HG3' ' A' ' 98' ' ' GLN . 91.9 t -131.71 133.16 61.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.612 ' CZ ' ' HB2' ' A' ' 97' ' ' PHE . 6.0 p90 -129.65 142.64 50.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.977 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 17.7 ttmt -95.28 138.73 32.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.328 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 38.6 tp -122.54 114.05 20.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -112.12 114.98 3.68 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.467 1.105 . . . . 0.0 110.959 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.422 HD23 ' N ' ' A' ' 89' ' ' LEU . 7.6 mt -73.71 -176.28 2.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -89.78 -8.61 51.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.275 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -97.09 15.87 21.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 72.34 30.84 64.2 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.514 1.134 . . . . 0.0 110.96 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.27 110.63 22.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 0.74 . . . . 0.0 109.363 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -106.16 130.48 54.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -126.78 149.25 49.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.413 ' O ' ' O ' ' A' ' 15' ' ' CYS . 15.7 mt -117.22 116.55 27.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.644 ' CE1' ' SG ' ' A' ' 37' ' ' CYS . 97.1 m-85 -118.13 140.7 49.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 111.048 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.461 ' HG3' ' CG2' ' A' ' 84' ' ' VAL . 25.2 tt0 -118.12 117.1 28.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.132 . . . . 0.0 110.331 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -82.43 170.14 15.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.271 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 10.7 pttt -68.45 -40.49 81.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.272 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.525 ' HA ' ' CD2' ' A' ' 83' ' ' HIS . 32.1 m-20 -148.44 -168.3 3.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.436 ' CG ' ' N ' ' A' ' 103' ' ' ALA . 2.7 pt-20 -67.58 -42.58 82.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.436 ' N ' ' CG ' ' A' ' 102' ' ' GLU . . . -56.32 -68.7 0.19 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.444 1.09 . . . . 0.0 109.279 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -39.19 -43.36 1.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 20.8 ttp -66.26 -68.26 0.38 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -40.27 -40.68 1.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.97 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 108' ' ' TRP . 0.3 OUTLIER -60.88 -56.44 21.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.973 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.547 ' CH2' ' HB3' ' A' ' 37' ' ' CYS . 37.9 m95 -42.3 -66.86 0.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 108.017 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.593 HD21 ' CD2' ' A' ' 85' ' ' PHE . 1.0 OUTLIER -41.12 -56.55 2.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 32.2 ttt-85 -50.88 -37.49 43.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.298 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.465 ' N ' ' O ' ' A' ' 108' ' ' TRP . 7.2 t -77.56 -60.3 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.465 ' N ' ' O ' ' A' ' 108' ' ' TRP . 85.6 t -45.19 -44.27 3.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.494 1.122 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -65.51 -39.03 91.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 111' ' ' VAL . . . -63.33 -19.97 65.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -89.71 -35.85 15.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.407 ' HA ' ' O ' ' A' ' 67' ' ' LEU . 22.0 mt -74.05 -41.54 52.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.51 -52.31 47.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -92.52 74.31 5.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.998 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -139.89 -143.96 4.45 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.519 1.137 . . . . 0.0 110.971 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 173.53 14.34 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.477 1.778 . . . . 0.0 111.027 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 8.5 t -148.88 -56.04 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 0.0 109.992 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 6.9 m -84.85 106.95 16.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 110.0 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.471 1.107 . . . . 0.0 110.974 179.959 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.6 p -179.32 89.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 0.743 . . . . 0.0 110.008 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.9 t -82.55 -57.97 3.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.017 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.57 -144.43 15.51 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.538 1.149 . . . . 0.0 110.97 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 p -170.72 -45.14 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.521 0.777 . . . . 0.0 109.963 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.2 p 176.73 162.88 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.999 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.24 -138.04 2.99 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.539 1.149 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -91.73 97.4 10.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 0.75 . . . . 0.0 110.3 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -97.62 150.71 20.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.282 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.532 ' HG2' ' CD2' ' A' ' 108' ' ' TRP . 3.1 ttt -156.64 135.34 11.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 111.037 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -150.13 131.93 15.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.244 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -172.25 166.35 39.13 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.56 1.163 . . . . 0.0 110.99 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.7 tpt -70.8 114.0 8.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 0.753 . . . . 0.0 110.984 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.424 HD22 ' NE1' ' A' ' 108' ' ' TRP . 1.9 mp -130.81 155.41 46.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.434 ' O ' ' O ' ' A' ' 96' ' ' LEU . 0.1 OUTLIER -95.38 96.28 9.02 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.125 . . . . 0.0 108.279 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.582 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 7.8 ttp180 -89.15 119.15 29.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.123 . . . . 0.0 110.303 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.417 ' HD2' ' NE1' ' A' ' 32' ' ' TRP . 5.8 tttt -124.15 101.81 7.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.107 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.457 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 28.9 tt0 -63.29 109.8 1.69 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 110.331 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -85.0 -58.05 2.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.504 ' CE ' ' O ' ' A' ' 25' ' ' LYS . 88.0 mmm -120.54 153.28 36.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 111.032 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.404 ' O ' ' CG ' ' A' ' 21' ' ' GLU . 6.1 tt0 -106.34 -11.72 15.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 174.18 173.64 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -48.28 116.25 1.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 111.006 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 62.42 11.93 36.8 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.504 ' O ' ' CE ' ' A' ' 20' ' ' MET . 0.1 OUTLIER -99.58 131.94 45.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 0.754 . . . . 0.0 109.301 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.04 139.99 33.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.457 ' CB ' ' HG2' ' A' ' 18' ' ' GLN . . . -68.26 148.27 51.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.84 -76.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.89 -73.82 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.425 ' CZ ' ' CB ' ' A' ' 30' ' ' ARG . 2.2 ttm105 76.43 44.34 0.13 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.585 1.178 . . . . 0.0 110.329 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.73 159.33 25.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.994 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.499 ' CZ2' ' CE2' ' A' ' 78' ' ' TYR . 77.5 m95 -74.66 131.32 40.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 107.982 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 56.8 mt-30 -147.64 119.55 8.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.329 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -60.62 103.57 0.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.482 ' CG1' ' HB3' ' A' ' 46' ' ' PHE . 95.9 t -120.97 126.91 75.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.519 ' CZ ' ' HB1' ' A' ' 50' ' ' ALA . 7.3 t80 -69.06 115.29 8.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.58 ' HB3' ' CH2' ' A' ' 108' ' ' TRP . 0.8 OUTLIER -81.89 130.22 35.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 108.279 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 60.9 t -133.12 105.55 8.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.471 HD12 ' CD1' ' A' ' 67' ' ' LEU . 0.8 OUTLIER -98.76 139.19 34.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -167.74 142.67 3.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.294 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 49.58 25.72 1.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.301 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 73.41 48.21 19.38 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.536 1.148 . . . . 0.0 111.04 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 89.9 p -152.69 126.45 8.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 0.798 . . . . 0.0 109.994 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 30.7 tp -89.53 124.13 34.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -118.63 128.58 7.76 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.482 ' HB3' ' CG1' ' A' ' 35' ' ' VAL . 34.3 m-85 -92.08 134.76 34.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 0.75 . . . . 0.0 110.98 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.408 ' O ' ' C ' ' A' ' 48' ' ' LYS . 47.6 m-85 -137.69 145.38 42.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.566 ' HA ' ' CD2' ' A' ' 59' ' ' TYR . 23.9 ttpt -39.66 -57.44 1.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -160.08 -178.59 7.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.519 ' HB1' ' CZ ' ' A' ' 36' ' ' TYR . . . -60.18 -22.44 62.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.108 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.2 mmtm -80.02 -17.11 53.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -96.41 -26.44 15.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.291 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.92 -42.1 58.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 109.272 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.2 t -69.25 -26.59 64.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.956 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -91.9 -1.34 57.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 60.59 38.24 94.67 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.6 t -106.6 113.96 62.45 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.516 0.774 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 133.2 16.22 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.5 1.79 . . . . 0.0 110.963 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.566 ' CD2' ' HA ' ' A' ' 48' ' ' LYS . 0.3 OUTLIER -58.74 116.34 3.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 111.01 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.4 m170 53.41 20.57 2.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.559 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 64.61 41.02 97.98 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.481 1.113 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.423 ' O ' ' O ' ' A' ' 63' ' ' VAL . 52.8 mt-10 -91.58 92.96 8.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 0.733 . . . . 0.0 110.278 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.423 ' O ' ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -43.13 166.66 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 163.09 36.07 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.473 1.775 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.7 m -107.11 122.94 61.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.264 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.1 m -67.27 131.06 44.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.992 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.471 ' CD1' HD12 ' A' ' 39' ' ' LEU . 13.7 mt -95.59 29.44 2.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -79.0 107.39 11.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.9 mtm180 75.31 22.92 1.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 110.259 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -92.26 152.47 19.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.275 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -114.29 137.84 51.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -124.53 117.5 3.08 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.455 1.097 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 70.9 m -137.74 161.45 36.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 0.789 . . . . 0.0 109.98 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.583 HG22 ' CE2' ' A' ' 76' ' ' PHE . 0.9 OUTLIER -82.3 163.8 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.411 ' N ' ' HA ' ' A' ' 85' ' ' PHE . . . -131.09 60.23 1.66 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 109.251 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.583 ' CE2' HG22 ' A' ' 74' ' ' VAL . 8.9 m-85 -55.33 -42.68 74.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.952 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -40.66 -49.32 3.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.53 ' CE1' ' HB2' ' A' ' 80' ' ' LYS . 1.1 t80 -41.62 102.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.459 ' O ' ' CG ' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -95.83 80.14 3.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.317 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.53 ' HB2' ' CE1' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -172.02 -62.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.27 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.46 ' CB ' HG21 ' A' ' 84' ' ' VAL . 39.0 mtt85 -98.94 132.79 44.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.278 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.418 ' C ' ' CG ' ' A' ' 83' ' ' HIS . 81.4 mttt -81.73 152.16 27.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.339 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.557 ' CE1' ' HA ' ' A' ' 101' ' ' ASP . 0.0 OUTLIER 48.43 73.14 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.632 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.46 HG21 ' CB ' ' A' ' 81' ' ' ARG . 44.3 t -131.01 143.09 41.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.572 ' CZ ' ' HB2' ' A' ' 97' ' ' PHE . 15.2 p90 -139.49 148.08 42.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 111.026 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 28.1 ttmt -95.59 145.59 25.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 35.3 tp -130.9 104.75 7.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -99.37 114.71 5.1 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.525 1.141 . . . . 0.0 110.965 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.422 ' N ' HD23 ' A' ' 89' ' ' LEU . 5.3 mt -72.11 -179.32 2.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 0.75 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -88.82 0.23 56.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.266 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -109.38 19.81 18.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 69.52 28.07 72.76 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.515 1.134 . . . . 0.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.28 103.26 14.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 0.771 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -98.46 128.13 44.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.349 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -120.4 163.0 18.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 110.985 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.434 ' O ' ' O ' ' A' ' 15' ' ' CYS . 16.1 mt -130.64 119.1 21.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.582 ' CE1' ' HG3' ' A' ' 16' ' ' ARG . 98.3 m-85 -121.19 132.5 54.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -109.13 108.44 19.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.289 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -71.16 174.58 6.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.087 . . . . 0.0 109.259 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 24.1 pttt -76.37 -36.34 58.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.354 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.557 ' HA ' ' CE1' ' A' ' 83' ' ' HIS . 62.9 m-20 -154.37 -178.5 7.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.364 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -57.5 -44.55 85.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.318 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.17 -67.93 0.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -38.4 -46.48 1.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.292 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.538 ' SD ' ' N ' ' A' ' 106' ' ' SER . 3.6 tmm? -60.21 -71.59 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.538 ' N ' ' SD ' ' A' ' 105' ' ' MET . 0.5 OUTLIER -35.04 -50.32 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.069 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.434 ' O ' ' CG2' ' A' ' 111' ' ' VAL . 0.3 OUTLIER -54.32 -51.76 63.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.974 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.58 ' CH2' ' HB3' ' A' ' 37' ' ' CYS . 19.1 m95 -51.3 -51.83 50.66 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.566 HD23 ' CD2' ' A' ' 85' ' ' PHE . 2.7 mm? -56.36 -48.75 76.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -59.69 -42.14 92.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.302 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.464 HG12 ' CD2' ' A' ' 39' ' ' LEU . 21.6 t -69.84 -59.5 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 76.9 t -47.56 -41.01 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.338 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -70.13 -38.57 75.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.35 -17.9 64.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -90.67 -41.93 11.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 51.4 mt -59.08 -53.13 52.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -53.72 -43.65 69.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.3 m -79.98 61.34 3.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.017 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -97.18 -164.01 32.18 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.55 1.156 . . . . 0.0 111.008 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 70.11 5.35 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.51 1.795 . . . . 0.0 110.953 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 79.2 p -120.21 167.87 11.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.927 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -118.74 165.11 14.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 109.998 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 -179.968 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -152.21 168.44 25.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 0.774 . . . . 0.0 109.972 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.1 t -73.08 139.77 46.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.074 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.3 175.09 22.53 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.501 1.125 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.6 m -104.42 94.79 5.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 0.751 . . . . 0.0 109.997 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.3 p -155.18 159.2 39.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.039 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.14 155.56 8.22 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.453 1.096 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -89.94 115.87 27.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 0.786 . . . . 0.0 110.286 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -96.28 145.66 25.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.328 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.528 ' HG2' ' CE2' ' A' ' 108' ' ' TRP . 4.9 ttt -151.87 137.05 17.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 111.039 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -154.7 131.72 10.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.322 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -172.44 167.13 40.0 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.53 1.144 . . . . 0.0 110.992 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.409 ' HE3' ' CG ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -71.55 115.17 10.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 0.775 . . . . 0.0 111.031 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.475 ' CD1' ' HA ' ' A' ' 99' ' ' ALA . 2.2 mp -131.65 150.17 52.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -87.79 95.68 10.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 108.325 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.574 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 18.2 ttp180 -87.99 118.4 27.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.269 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.516 ' HD3' ' CE2' ' A' ' 32' ' ' TRP . 0.4 OUTLIER -123.79 95.54 4.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.466 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 13.1 tt0 -60.06 112.49 1.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.283 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -92.59 -56.67 2.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.115 . . . . 0.0 110.317 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 88.4 mmm -117.63 155.79 29.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 110.993 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.403 ' O ' ' CG ' ' A' ' 21' ' ' GLU . 9.3 tt0 -111.33 -12.19 14.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.296 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 174.56 173.74 0.2 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -47.26 117.5 1.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 59.46 14.27 26.79 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.518 1.136 . . . . 0.0 110.966 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.29 127.23 46.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 0.772 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.74 139.18 32.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.431 1.082 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.466 ' CB ' ' HG2' ' A' ' 18' ' ' GLN . . . -78.16 131.57 37.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.102 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.66 -62.95 0.79 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -110.37 134.28 52.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.448 ' NH1' ' HB2' ' A' ' 30' ' ' ARG . 13.3 mtm105 -127.84 50.5 2.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 110.281 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.9 m -96.09 159.75 14.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.039 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.516 ' CE2' ' HD3' ' A' ' 17' ' ' LYS . 81.5 m95 -86.29 128.02 34.86 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -145.29 123.84 12.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 110.32 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -63.18 104.19 0.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.464 ' CG1' ' HB3' ' A' ' 46' ' ' PHE . 58.3 t -117.81 127.0 75.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.511 ' CE2' ' HA ' ' A' ' 50' ' ' ALA . 6.8 t80 -71.4 108.28 4.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.523 ' SG ' ' CE1' ' A' ' 97' ' ' PHE . 0.6 OUTLIER -76.66 128.13 34.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 108.3 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 74.9 t -127.52 105.52 13.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.33 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.47 HD11 ' CD1' ' A' ' 67' ' ' LEU . 0.7 OUTLIER -97.26 138.41 34.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -176.87 136.44 0.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.287 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.6 mtm180 64.12 33.46 11.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.312 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.438 ' HA2' ' CB ' ' A' ' 115' ' ' ALA . . . 67.75 20.79 72.57 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.403 ' O ' ' HA ' ' A' ' 39' ' ' LEU . 3.1 m -118.8 166.85 12.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 0.752 . . . . 0.0 109.998 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 50.0 tp -133.76 103.04 5.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -98.53 158.13 20.37 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.582 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 67.4 m-85 -119.05 144.91 46.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 0.783 . . . . 0.0 110.955 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.582 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 34.5 m-85 -150.35 156.66 41.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -48.37 -65.46 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.409 ' CG ' ' HE3' ' A' ' 13' ' ' MET . 0.9 OUTLIER -150.61 -175.55 5.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.511 ' HA ' ' CE2' ' A' ' 36' ' ' TYR . . . -62.54 -14.19 39.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.343 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -77.56 -43.43 31.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.8 -37.07 70.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.249 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.23 -51.54 64.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.77 -28.17 68.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.004 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -90.67 12.09 20.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.44 1.087 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 42.31 33.89 1.47 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 96.8 t -101.52 121.01 52.94 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.495 0.762 . . . . 0.0 109.264 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 136.07 19.93 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.495 1.787 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -50.14 -67.3 0.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 17.2 m170 -117.11 43.74 2.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.08 . . . . 0.0 109.59 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 51.28 20.4 4.96 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -77.28 160.56 28.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 0.776 . . . . 0.0 110.339 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -105.76 168.34 8.41 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.361 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 136.37 20.37 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.464 1.771 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 17.2 m -85.23 124.5 40.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.51 127.82 34.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.032 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.47 ' CD1' HD11 ' A' ' 39' ' ' LEU . 8.3 mt -90.6 40.65 1.02 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.445 ' O ' ' NE2' ' A' ' 90' ' ' GLN . . . -83.26 110.99 18.55 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.104 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.7 mtm180 69.24 17.88 8.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.252 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -77.43 176.16 9.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -146.87 134.63 21.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -122.2 124.67 5.81 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.493 1.12 . . . . 0.0 110.992 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.1 t -136.54 161.26 36.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 0.775 . . . . 0.0 110.037 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.457 HG21 ' CE ' ' A' ' 105' ' ' MET . 38.8 t -83.14 150.4 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -97.02 73.33 2.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.241 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -60.56 -41.35 94.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 1.171 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.68 -40.29 12.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -72.95 114.91 11.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.982 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -105.99 -47.26 3.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.102 . . . . 0.0 110.246 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.53 -52.3 10.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.08 125.53 48.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.538 ' O ' ' CG ' ' A' ' 83' ' ' HIS . 7.4 mtpt -91.38 170.55 9.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.663 ' HD1' ' N ' ' A' ' 99' ' ' ALA . 19.2 p80 49.62 60.86 3.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.553 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.495 ' CG2' ' HG3' ' A' ' 98' ' ' GLN . 65.8 t -131.56 122.44 50.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.588 ' CZ ' ' HB2' ' A' ' 97' ' ' PHE . 8.5 p90 -129.45 136.8 50.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 111.027 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.0 ttmt -92.84 128.62 38.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 37.2 tp -109.73 100.54 9.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -92.86 115.24 4.83 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.544 1.152 . . . . 0.0 111.057 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.0 mt -73.38 -177.01 2.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 0.773 . . . . 0.0 109.317 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.445 ' NE2' ' O ' ' A' ' 68' ' ' ALA . 10.6 pt20 -89.54 -5.88 56.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -106.14 27.98 8.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 109.276 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 62.51 36.33 93.03 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.479 1.112 . . . . 0.0 111.028 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.88 108.7 20.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 0.775 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -106.87 125.67 51.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.308 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -122.22 143.81 49.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 9.8 mt -108.35 121.55 45.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.588 ' HB2' ' CZ ' ' A' ' 85' ' ' PHE . 72.0 m-85 -120.13 146.69 45.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.097 . . . . 0.0 111.034 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.587 ' HG2' ' CE1' ' A' ' 83' ' ' HIS . 2.8 tt0 -125.26 111.99 15.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.663 ' N ' ' HD1' ' A' ' 83' ' ' HIS . . . -77.35 -140.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.438 ' HG3' ' N ' ' A' ' 101' ' ' ASP . 0.0 OUTLIER -119.59 -27.2 5.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.438 ' N ' ' HG3' ' A' ' 100' ' ' LYS . 64.7 m-20 -161.75 -174.77 4.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -69.45 -8.36 46.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 110.277 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 104' ' ' GLU . . . -89.23 -71.0 0.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 103' ' ' ALA . 0.9 OUTLIER -37.9 -43.05 0.66 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 110.3 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.542 ' CG ' ' CD1' ' A' ' 85' ' ' PHE . 4.8 ttp -69.59 -61.87 1.61 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -39.62 -40.23 0.86 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.994 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.16 -51.14 62.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.97 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.528 ' CE2' ' HG2' ' A' ' 10' ' ' MET . 30.1 m95 -45.44 -63.43 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 107.993 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.566 HD21 ' CD2' ' A' ' 85' ' ' PHE . 0.9 OUTLIER -44.36 -50.93 8.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.31 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 45.6 ttt180 -56.51 -36.84 69.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.304 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.45 HG12 ' CD2' ' A' ' 39' ' ' LEU . 17.2 t -77.33 -59.44 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 87.8 t -46.04 -38.49 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.231 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -71.45 -37.52 71.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 111' ' ' VAL . . . -67.71 -17.64 64.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.438 ' CB ' ' HA2' ' A' ' 42' ' ' GLY . . . -91.19 -41.72 10.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.427 1.08 . . . . 0.0 109.329 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 52.2 mt -58.2 -58.98 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.66 -62.92 1.32 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 119' ' ' GLY . 0.2 OUTLIER -54.43 97.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.038 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 118' ' ' SER . . . -36.27 131.55 0.86 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.532 1.145 . . . . 0.0 110.971 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 85.99 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.522 1.801 . . . . 0.0 111.02 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 26.3 m 52.65 78.54 0.13 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 110.024 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 15.2 p -86.38 -57.23 3.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.051 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.464 1.102 . . . . 0.0 111.025 179.999 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.8 t -99.29 135.28 40.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 0.774 . . . . 0.0 109.979 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.6 p -164.1 166.4 21.34 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.559 1.162 . . . . 0.0 110.04 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.415 ' HA3' ' NH2' ' A' ' 40' ' ' ARG . . . -157.0 81.78 0.16 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.467 1.104 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.0 m -127.74 128.71 45.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 0.769 . . . . 0.0 110.005 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 168.25 -55.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.041 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.87 -160.95 11.56 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -103.67 87.4 2.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 0.742 . . . . 0.0 110.302 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -100.19 142.07 32.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.306 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' MET . . . . . 0.524 ' HG2' ' CH2' ' A' ' 108' ' ' TRP . 5.0 ttt -140.58 131.15 25.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 110.993 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.448 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 7.8 pt-20 -146.64 125.57 12.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.304 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.14 158.68 31.35 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.476 1.11 . . . . 0.0 110.986 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.487 ' O ' ' CD1' ' A' ' 14' ' ' LEU . 2.0 mmt -59.35 120.28 9.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 0.797 . . . . 0.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.487 ' CD1' ' O ' ' A' ' 13' ' ' MET . 1.7 mp -140.93 154.68 46.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.455 ' O ' ' O ' ' A' ' 96' ' ' LEU . 0.1 OUTLIER -97.03 96.76 8.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 108.296 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.527 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 10.4 ttp180 -88.51 119.66 29.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.274 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.465 ' HD2' ' CE2' ' A' ' 32' ' ' TRP . 4.1 tttp -124.98 94.7 4.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.491 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 44.1 tt0 -66.73 111.47 3.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.267 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.479 ' OE2' ' N ' ' A' ' 96' ' ' LEU . 0.6 OUTLIER -95.1 -50.22 5.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.303 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.513 ' CE ' ' O ' ' A' ' 25' ' ' LYS . 69.8 mmm -114.98 142.68 46.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.401 ' O ' ' O ' ' A' ' 92' ' ' GLY . 3.1 tt0 -112.93 -11.6 13.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 110.273 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.511 ' HA ' ' O ' ' A' ' 92' ' ' GLY . . . -166.02 176.53 7.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -60.13 128.83 38.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 111.019 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 43.37 32.08 1.7 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.489 1.118 . . . . 0.0 110.993 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.513 ' O ' ' CE ' ' A' ' 20' ' ' MET . 0.0 OUTLIER -107.31 -158.19 0.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.765 . . . . 0.0 109.262 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.0 pttt -153.07 140.7 19.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.491 ' CB ' ' HG2' ' A' ' 18' ' ' GLN . . . -83.3 142.32 31.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 27' ' ' ALA . . . -40.37 -71.16 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.25 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -104.4 138.97 40.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 40.3 mtm180 -124.97 56.5 1.32 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.95 158.0 27.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.016 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.465 ' CE2' ' HD2' ' A' ' 17' ' ' LYS . 86.6 m95 -79.58 132.41 36.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 108.011 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -144.41 129.59 18.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 110.288 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -66.02 103.86 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.473 ' CG1' ' HB3' ' A' ' 46' ' ' PHE . 47.8 t -125.36 125.59 69.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.559 ' CE1' ' HB3' ' A' ' 50' ' ' ALA . 57.0 t80 -73.07 110.36 7.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 110.988 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.616 ' SG ' ' CE1' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -74.16 132.14 41.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 108.313 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 56.4 t -128.95 105.33 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.332 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.455 HD22 ' CG1' ' A' ' 111' ' ' VAL . 0.6 OUTLIER -102.5 141.84 34.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.282 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 42' ' ' GLY . 1.1 tpt180 -134.17 -149.68 0.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.32 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.6 mmt85 -66.62 68.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 40' ' ' ARG . . . 79.03 55.16 3.86 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.469 1.106 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.419 ' O ' ' HA ' ' A' ' 39' ' ' LEU . 33.2 p -159.82 166.69 29.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 0.77 . . . . 0.0 110.002 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.467 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 28.5 tp -150.62 102.9 3.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.22 155.27 19.52 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.503 1.127 . . . . 0.0 110.986 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.588 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 66.0 m-85 -115.2 137.22 52.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 0.776 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.588 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 5.4 m-85 -143.68 163.13 34.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -53.02 -67.05 0.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -146.73 179.02 7.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.559 ' HB3' ' CE1' ' A' ' 36' ' ' TYR . . . -60.52 -18.69 53.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.3 mmtm -85.74 -17.72 35.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -95.64 -13.35 24.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.09 -41.87 24.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.06 -40.72 96.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.986 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.03 -21.61 62.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.87 43.48 11.24 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.515 1.134 . . . . 0.0 110.982 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 84.0 t -105.08 105.08 50.26 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.515 0.773 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 128.41 11.47 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.52 1.8 . . . . 0.0 110.968 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.402 ' C ' ' N ' ' A' ' 61' ' ' GLY . 4.6 t80 -49.97 118.84 3.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 110.988 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 11.4 m170 48.83 23.44 0.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 0.0 109.571 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.402 ' N ' ' C ' ' A' ' 59' ' ' TYR . . . 63.74 23.42 67.21 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.487 1.117 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.433 ' O ' ' O ' ' A' ' 63' ' ' VAL . 38.5 mt-10 -75.41 97.61 3.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 0.778 . . . . 0.0 110.307 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.433 ' O ' ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -43.2 166.97 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 170.77 19.68 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.474 1.776 . . . . 0.0 110.991 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.467 ' CG2' ' HB3' ' A' ' 44' ' ' LEU . 35.3 m -110.37 133.46 55.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.3 128.66 34.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.975 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.45 ' CD1' HD12 ' A' ' 39' ' ' LEU . 37.1 mt -89.24 41.87 1.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -86.69 106.77 17.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.56 15.17 3.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -79.23 172.51 13.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -148.96 147.63 28.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 110.29 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.422 ' C ' ' CD1' ' A' ' 109' ' ' LEU . . . -121.28 116.18 3.07 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.483 1.114 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.32 160.33 21.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 0.728 . . . . 0.0 110.053 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.5 t -100.31 140.03 20.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 76' ' ' PHE . . . -97.95 74.6 2.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.445 ' C ' ' O ' ' A' ' 75' ' ' ALA . 88.2 m-85 -33.95 101.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 0.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 44.14 86.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.608 ' CE1' ' O ' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -85.38 134.62 34.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.608 ' O ' ' CE1' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -37.5 125.17 1.06 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.142 . . . . 0.0 110.274 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 79' ' ' ARG . 13.4 mttp 87.39 -128.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.416 ' O ' ' O ' ' A' ' 80' ' ' LYS . 8.8 mmt180 -38.82 158.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.169 . . . . 0.0 110.282 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -111.44 175.33 5.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.444 1.09 . . . . 0.0 109.34 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 40.74 80.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.568 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.423 HG22 ' CB ' ' A' ' 98' ' ' GLN . 85.0 t -140.7 137.68 35.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.329 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.603 ' CZ ' ' HB2' ' A' ' 97' ' ' PHE . 11.4 p90 -123.6 135.34 53.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 26.7 ttmt -86.41 116.0 24.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.484 HD21 ' CE2' ' A' ' 97' ' ' PHE . 26.1 tp -95.4 97.95 10.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -95.5 112.97 4.51 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.531 1.144 . . . . 0.0 111.029 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 14.7 mt -66.25 -126.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 0.742 . . . . 0.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.571 ' O ' ' CB ' ' A' ' 91' ' ' ASP . 1.5 pt20 -85.84 22.34 1.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 110.257 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.571 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 6.0 t0 88.39 -18.67 0.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . 0.511 ' O ' ' HA ' ' A' ' 22' ' ' ALA . . . -93.19 10.05 74.0 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -163.15 124.29 2.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 0.779 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -137.22 125.43 23.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 110.33 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.458 ' C ' ' OE2' ' A' ' 19' ' ' GLU . 93.1 m-85 -122.13 154.67 37.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.479 ' N ' ' OE2' ' A' ' 19' ' ' GLU . 19.8 mt -115.04 107.77 15.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.616 ' CE1' ' SG ' ' A' ' 37' ' ' CYS . 97.0 m-85 -106.99 140.24 40.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 111.008 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.423 ' CB ' HG22 ' A' ' 84' ' ' VAL . 2.3 tt0 -116.67 121.52 41.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 110.358 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -86.42 173.63 9.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.3 pttp -75.75 -31.27 59.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -159.38 -175.81 5.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -62.96 -25.57 68.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.71 -71.79 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -40.16 -38.24 0.73 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.315 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 5.4 ttp -69.93 -69.14 0.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 111.029 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.1 t -39.48 -45.93 1.62 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 110.034 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.4 ' O ' ' HB3' ' A' ' 110' ' ' ARG . 0.3 OUTLIER -58.36 -54.91 41.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.976 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . 0.55 ' CH2' ' HB3' ' A' ' 37' ' ' CYS . 17.4 m95 -42.63 -62.69 0.92 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 107.998 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.597 HD23 ' CD2' ' A' ' 85' ' ' PHE . 0.4 OUTLIER -46.71 -50.03 18.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.4 ' HB3' ' O ' ' A' ' 107' ' ' SER . 51.5 ttt180 -56.93 -33.77 67.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.277 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.455 ' CG1' HD22 ' A' ' 39' ' ' LEU . 21.9 t -80.09 -57.91 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 86.7 t -47.22 -38.72 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.256 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -72.02 -37.02 69.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.408 ' N ' ' O ' ' A' ' 111' ' ' VAL . . . -71.32 -20.06 62.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -87.61 -45.51 10.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 34.9 mt -53.55 -53.02 27.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -54.77 -40.68 69.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.05 50.25 1.94 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.973 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -98.29 -165.16 31.0 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.486 1.116 . . . . 0.0 111.015 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 84.71 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.527 1.804 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 29.9 t -40.78 150.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.14 . . . . 0.0 110.029 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.9 m -95.24 -41.45 9.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.993 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.521 1.138 . . . . 0.0 110.966 179.95 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.466 ' HB2' ' CB ' ' A' ' 114' ' ' ALA . 6.0 mm-40 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -94.96 148.84 21.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.733 ' CB ' HG11 ' A' ' 111' ' ' VAL . 5.0 ttt -157.49 132.99 9.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 111.005 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.451 ' N ' ' CD ' ' A' ' 11' ' ' GLU . 1.4 pm0 -150.69 132.93 15.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -171.57 175.34 45.07 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.713 ' O ' HD12 ' A' ' 14' ' ' LEU . 1.1 mmt -76.89 119.84 21.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 0.748 . . . . 0.0 110.997 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.713 HD12 ' O ' ' A' ' 13' ' ' MET . 1.8 mp -138.32 153.99 48.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.422 ' O ' ' O ' ' A' ' 96' ' ' LEU . 0.1 OUTLIER -94.84 96.24 9.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 108.322 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.572 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 14.4 ttp180 -88.89 120.62 30.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.287 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.514 ' HD2' ' CE2' ' A' ' 32' ' ' TRP . 3.7 tttp -124.5 97.14 5.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.461 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 43.8 tt0 -62.29 109.32 1.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.331 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -94.72 -60.51 1.69 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 110.324 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 3.0 mtp -105.22 130.17 53.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.946 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -98.75 -10.6 22.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.298 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -177.56 166.34 2.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 109.291 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -43.22 123.48 2.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 48.19 27.74 5.59 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.479 1.112 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.494 ' CE ' ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -114.55 126.27 54.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 0.798 . . . . 0.0 109.317 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.494 ' O ' ' CE ' ' A' ' 25' ' ' LYS . 1.6 pttt -86.28 122.49 30.33 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.461 ' CB ' ' HG2' ' A' ' 18' ' ' GLN . . . -53.61 -173.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 29' ' ' ASN . . . -108.65 -75.71 0.63 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 28' ' ' ALA . 13.2 t-20 -39.13 -67.58 0.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 77.6 mtm180 47.44 37.35 6.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.22 134.97 55.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.992 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.514 ' CE2' ' HD2' ' A' ' 17' ' ' LYS . 86.4 m95 -65.29 123.88 20.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.157 . . . . 0.0 108.027 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.461 ' O ' HG23 ' A' ' 35' ' ' VAL . 8.6 mt-30 -147.28 139.5 24.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -70.6 103.8 2.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.475 ' CG1' ' HB3' ' A' ' 46' ' ' PHE . 21.4 t -119.69 122.51 68.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.488 ' CD2' ' HB2' ' A' ' 53' ' ' ALA . 13.7 t80 -72.02 110.55 6.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.622 ' SG ' HD11 ' A' ' 44' ' ' LEU . 0.5 OUTLIER -76.82 129.36 36.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 108.288 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 94.0 t -129.11 105.71 13.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.939 HD22 HG12 ' A' ' 111' ' ' VAL . 0.8 OUTLIER -97.85 136.16 38.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.24 142.19 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.341 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 60.12 14.45 4.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.296 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.576 ' HA2' ' HB1' ' A' ' 115' ' ' ALA . . . 82.73 30.46 32.43 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.46 1.1 . . . . 0.0 110.989 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.79 133.63 40.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 0.77 . . . . 0.0 109.978 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.622 HD11 ' SG ' ' A' ' 37' ' ' CYS . 41.0 tp -95.88 113.86 25.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -101.02 159.28 18.91 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.539 1.15 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.475 ' HB3' ' CG1' ' A' ' 35' ' ' VAL . 52.3 m-85 -124.94 126.53 45.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 0.79 . . . . 0.0 111.03 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.414 ' CD1' ' N ' ' A' ' 47' ' ' TYR . 19.8 m-85 -137.38 158.12 45.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.953 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.43 -62.53 1.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -156.04 -175.87 5.66 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.518 1.136 . . . . 0.0 109.232 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.03 -15.09 28.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.424 ' HD2' ' N ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -80.4 -26.69 38.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -96.18 -15.97 21.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.488 ' HB2' ' CD2' ' A' ' 36' ' ' TYR . . . -80.13 -36.59 35.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 45.3 t -83.13 -16.77 45.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.032 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.99 5.07 42.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 53.73 33.64 49.3 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.504 1.128 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 89.5 t -100.32 117.9 62.21 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.461 0.742 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 137.08 21.28 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.49 1.784 . . . . 0.0 111.012 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 17.7 t80 -38.38 -65.26 0.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 111.045 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.9 m80 -125.51 1.59 7.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.585 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 108.0 9.27 28.38 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.462 1.101 . . . . 0.0 110.995 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -73.89 132.75 42.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 0.764 . . . . 0.0 110.308 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -80.86 172.05 10.78 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.355 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 134.73 18.18 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.511 1.795 . . . . 0.0 111.028 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.483 ' HB ' HD11 ' A' ' 89' ' ' LEU . 11.4 m -81.21 122.76 36.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.4 p -65.32 128.85 37.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.001 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.511 HD11 HD12 ' A' ' 39' ' ' LEU . 6.6 mt -92.97 34.68 1.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.454 ' O ' ' CB ' ' A' ' 69' ' ' ARG . . . -82.65 100.69 10.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.454 ' CB ' ' O ' ' A' ' 68' ' ' ALA . 0.1 OUTLIER 80.37 22.81 0.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.281 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -88.29 158.78 18.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.71 ' O ' HD12 ' A' ' 87' ' ' LEU . 0.9 OUTLIER -115.91 142.39 46.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 110.273 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -134.77 111.3 0.91 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 73.4 m -136.73 160.64 38.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 0.764 . . . . 0.0 109.987 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.635 HG22 ' CE ' ' A' ' 105' ' ' MET . 53.6 t -67.59 159.96 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 109.274 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 37.6 mttm . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.413 ' HA ' ' SD ' ' A' ' 105' ' ' MET . 0.0 OUTLIER 51.4 65.81 1.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.563 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.575 HG13 ' O ' ' A' ' 97' ' ' PHE . 53.4 t -130.91 140.63 48.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.61 ' CZ ' ' HB2' ' A' ' 97' ' ' PHE . 3.2 p90 -131.87 143.29 50.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.976 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 17.8 ttmt -95.99 131.09 42.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.71 HD12 ' O ' ' A' ' 71' ' ' GLN . 41.3 tp -114.17 114.29 25.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.349 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -108.39 114.82 4.23 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.536 1.148 . . . . 0.0 111.032 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.483 HD11 ' HB ' ' A' ' 65' ' ' VAL . 5.2 mt -73.3 -173.89 1.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 0.786 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -95.09 -17.39 21.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 110.323 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.414 ' HB3' ' NZ ' ' A' ' 93' ' ' LYS . 4.4 t0 -86.49 3.83 42.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.253 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 87.72 24.01 37.18 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.561 1.163 . . . . 0.0 111.015 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.414 ' NZ ' ' HB3' ' A' ' 91' ' ' ASP . 0.0 OUTLIER -96.12 122.36 38.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 0.782 . . . . 0.0 109.306 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -119.7 124.4 46.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.276 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -121.87 154.53 36.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.948 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.422 ' O ' ' O ' ' A' ' 15' ' ' CYS . 16.8 mt -118.94 122.84 43.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.61 ' HB2' ' CZ ' ' A' ' 85' ' ' PHE . 96.4 m-85 -120.38 143.54 48.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.574 ' HA ' HG22 ' A' ' 84' ' ' VAL . 29.3 tt0 -119.52 109.45 15.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.738 ' HB1' ' HB3' ' A' ' 104' ' ' GLU . . . -73.11 174.56 7.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.23 -26.41 42.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -164.71 -177.19 4.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -59.79 -27.11 66.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.122 . . . . 0.0 110.286 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.41 -71.69 0.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.738 ' HB3' ' HB1' ' A' ' 99' ' ' ALA . 0.6 OUTLIER -40.22 -46.35 2.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.341 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.635 ' CE ' HG22 ' A' ' 74' ' ' VAL . 12.0 ttp -61.96 -68.4 0.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.989 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.1 t -44.43 -49.84 9.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 110.023 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.753 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.3 OUTLIER -52.73 -56.15 17.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.971 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.576 ' CD1' ' HE1' ' A' ' 10' ' ' MET . 24.6 m95 -42.24 -63.9 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.59 HD21 ' CG ' ' A' ' 85' ' ' PHE . 0.8 OUTLIER -43.33 -54.05 4.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 34.5 ttt-85 -53.47 -34.14 56.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.285 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.939 HG12 HD22 ' A' ' 39' ' ' LEU . 18.8 t -80.58 -59.21 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.142 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.45 HG11 HD13 ' A' ' 87' ' ' LEU . 98.9 t -47.47 -36.66 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -72.46 -35.52 68.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.466 ' CB ' ' HB2' ' A' ' 8' ' ' GLU . . . -71.64 -16.44 62.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.576 ' HB1' ' HA2' ' A' ' 42' ' ' GLY . . . -93.24 -44.58 8.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 45.2 mt -55.76 -58.17 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.29 -63.24 1.2 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.313 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 110.034 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.442 ' HA ' HD23 ' A' ' 39' ' ' LEU . 4.8 pp0? -97.84 161.95 13.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.673 ' CB ' HG11 ' A' ' 111' ' ' VAL . 8.0 ttt -166.9 128.07 1.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.424 1.078 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.458 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 8.6 pt-20 -144.92 125.68 14.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.322 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.01 159.36 32.72 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.517 1.136 . . . . 0.0 110.968 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.702 ' O ' HD12 ' A' ' 14' ' ' LEU . 1.9 mmt -58.41 122.39 13.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 0.788 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.732 HD23 ' HB3' ' A' ' 97' ' ' PHE . 1.5 mp -142.34 155.14 45.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.423 ' O ' ' O ' ' A' ' 96' ' ' LEU . 0.8 OUTLIER -97.03 96.17 8.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 108.289 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.513 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 10.6 ttp180 -88.77 120.42 30.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 110.241 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.482 ' HD2' ' CE2' ' A' ' 32' ' ' TRP . 3.3 tttt -124.25 99.54 6.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.367 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.463 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 17.2 tt0 -61.61 109.42 1.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.347 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -85.46 -61.42 1.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.321 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 80.2 mmm -118.53 145.66 45.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -103.12 -12.76 17.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -176.16 169.78 2.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.357 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -51.42 120.65 5.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 110.99 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 60.11 14.27 31.48 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.524 1.14 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.479 ' CE ' ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -107.95 129.39 55.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 0.777 . . . . 0.0 109.328 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.479 ' O ' ' CE ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -94.79 142.88 26.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.463 ' CB ' ' HG2' ' A' ' 18' ' ' GLN . . . -67.66 159.75 29.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.22 -75.4 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -63.78 -68.29 0.36 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.425 ' CB ' ' CZ ' ' A' ' 30' ' ' ARG . 1.5 ttm105 65.26 46.58 2.62 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.526 1.141 . . . . 0.0 110.286 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.5 t -120.21 169.27 10.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.974 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.482 ' CE2' ' HD2' ' A' ' 17' ' ' LYS . 77.7 m95 -85.73 128.51 34.81 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.529 ' O ' HG23 ' A' ' 35' ' ' VAL . 45.6 mt-30 -147.28 123.0 10.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 110.304 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -63.94 103.56 0.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.599 HG11 ' HB3' ' A' ' 46' ' ' PHE . 61.8 t -121.06 127.12 75.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.536 ' CE1' ' HB2' ' A' ' 50' ' ' ALA . 53.2 t80 -70.73 109.99 5.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 111.0 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.772 ' SG ' HD11 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -74.52 131.22 40.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 108.315 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 84.4 t -129.95 105.03 11.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 1.051 HD22 HG12 ' A' ' 111' ' ' VAL . 0.7 OUTLIER -96.49 137.14 36.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -172.96 145.41 1.39 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 110.293 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 50.97 22.4 1.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.329 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.711 ' HA2' ' HB1' ' A' ' 115' ' ' ALA . . . 75.63 38.01 38.63 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.478 1.111 . . . . 0.0 111.043 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.9 m -140.81 128.46 21.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 0.757 . . . . 0.0 109.996 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.772 HD11 ' SG ' ' A' ' 37' ' ' CYS . 30.3 tp -91.35 112.95 25.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.35 155.7 18.5 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.489 1.118 . . . . 0.0 110.969 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.599 ' HB3' HG11 ' A' ' 35' ' ' VAL . 42.7 m-85 -118.56 140.83 49.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 0.77 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.589 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 32.8 m-85 -150.31 167.93 25.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.095 . . . . 0.0 111.005 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.4 ttpt -60.31 -61.39 2.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.256 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.556 ' H ' ' HB3' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -152.98 -176.54 5.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.288 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.536 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . . . -64.01 -16.7 62.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.0 mmtt -86.58 -18.72 30.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.556 ' HB3' ' H ' ' A' ' 49' ' ' ASP . . . -94.76 -22.63 17.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.12 -47.77 27.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.243 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.42 -37.12 86.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 110.025 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -78.13 -5.49 51.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 63.25 33.44 87.25 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.486 1.116 . . . . 0.0 110.974 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 86.9 t -97.77 115.96 65.75 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.479 0.752 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 132.11 15.06 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.504 1.791 . . . . 0.0 110.982 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -44.86 -63.88 0.82 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -124.56 43.67 2.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.61 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 52.65 23.85 15.98 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.452 1.095 . . . . 0.0 110.979 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -83.76 160.8 21.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 0.751 . . . . 0.0 110.317 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -104.04 169.02 7.77 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 136.52 20.34 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.481 1.78 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.447 ' HB ' HD11 ' A' ' 89' ' ' LEU . 16.1 m -82.63 123.47 38.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.3 t -66.59 128.07 34.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.024 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.599 HD11 HD12 ' A' ' 39' ' ' LEU . 5.4 mt -91.8 36.07 0.96 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.13 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -85.28 111.35 19.79 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 71.86 28.97 2.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 110.312 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -98.71 160.01 14.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.614 ' O ' HD12 ' A' ' 87' ' ' LEU . 5.5 pt20 -114.22 144.8 42.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 110.337 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -134.54 108.82 0.74 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.498 1.124 . . . . 0.0 110.975 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 69.6 m -135.69 160.97 36.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 0.757 . . . . 0.0 110.008 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.8 HG22 ' HE3' ' A' ' 105' ' ' MET . 72.9 t -70.84 160.23 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.256 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.411 ' N ' ' HA ' ' A' ' 85' ' ' PHE . . . . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.349 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 44.7 mttt . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.405 ' HA ' ' SD ' ' A' ' 105' ' ' MET . 0.2 OUTLIER 54.26 59.62 4.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.642 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.475 HG22 ' HA ' ' A' ' 98' ' ' GLN . 96.7 t -129.85 137.72 55.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.602 ' CZ ' ' HB2' ' A' ' 97' ' ' PHE . 3.8 p90 -130.4 144.31 51.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.428 ' HA ' HD23 ' A' ' 96' ' ' LEU . 22.6 ttmt -92.25 143.18 26.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.614 HD12 ' O ' ' A' ' 71' ' ' GLN . 39.8 tp -128.45 105.64 8.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -103.02 114.84 4.99 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.486 1.116 . . . . 0.0 110.973 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.447 HD11 ' HB ' ' A' ' 65' ' ' VAL . 4.9 mt -72.92 -172.1 0.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 0.762 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -96.62 -12.18 24.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.3 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -95.7 20.24 10.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.259 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 70.26 31.69 68.87 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.478 1.112 . . . . 0.0 110.957 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.02 114.76 29.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 0.741 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -110.09 130.62 55.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.246 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -124.62 161.35 26.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 111.001 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 96' ' ' LEU . 19.7 mt -131.25 121.87 25.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.103 . . . . 0.0 109.244 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.732 ' HB3' HD23 ' A' ' 14' ' ' LEU . 96.4 m-85 -122.91 134.66 54.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 0.0 110.974 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.475 ' HA ' HG22 ' A' ' 84' ' ' VAL . 27.3 tt0 -108.88 110.18 21.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 110.306 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.644 ' HB1' ' HB3' ' A' ' 104' ' ' GLU . . . -73.18 168.79 18.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 23.5 pttt -74.07 -26.3 60.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -166.76 172.95 9.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -50.29 -36.33 31.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.302 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.79 -70.5 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.644 ' HB3' ' HB1' ' A' ' 99' ' ' ALA . 2.6 tp10 -40.68 -43.46 1.95 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.343 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.8 ' HE3' HG22 ' A' ' 74' ' ' VAL . 11.1 ttp -64.37 -68.5 0.35 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.86 -46.2 3.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.038 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.732 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.3 OUTLIER -57.5 -55.89 28.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.046 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.565 ' CH2' ' HB3' ' A' ' 37' ' ' CYS . 27.9 m95 -43.17 -63.35 0.83 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 107.992 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.592 HD21 ' CG ' ' A' ' 85' ' ' PHE . 0.9 OUTLIER -43.44 -52.16 6.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.403 ' HB3' ' O ' ' A' ' 107' ' ' SER . 37.3 ttt180 -55.78 -35.58 66.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 1.051 HG12 HD22 ' A' ' 39' ' ' LEU . 21.2 t -78.69 -58.87 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.164 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.484 ' N ' ' O ' ' A' ' 108' ' ' TRP . 94.9 t -48.14 -38.17 7.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.125 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -71.52 -36.37 71.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 111' ' ' VAL . . . -69.93 -16.22 63.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.711 ' HB1' ' HA2' ' A' ' 42' ' ' GLY . . . -93.29 -48.47 6.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 38.8 mt -51.62 -57.84 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -54.22 -60.39 3.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 66.4 p . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.044 179.986 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.441 ' HB2' ' CB ' ' A' ' 114' ' ' ALA . 5.3 mm-40 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -95.56 152.38 18.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 110.292 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.643 ' CB ' HG11 ' A' ' 111' ' ' VAL . 8.0 ttt -159.23 128.32 5.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 111.028 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.475 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 13.2 pt-20 -143.47 123.91 13.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.5 154.26 24.64 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.491 1.12 . . . . 0.0 110.962 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.649 ' O ' HD12 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -58.41 123.16 15.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 0.787 . . . . 0.0 110.969 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.649 HD12 ' O ' ' A' ' 13' ' ' MET . 1.4 mp -140.57 155.08 46.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.347 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.43 ' O ' ' HA ' ' A' ' 97' ' ' PHE . 0.5 OUTLIER -94.01 95.87 9.32 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 108.308 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.534 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 9.8 ttp180 -88.54 115.83 26.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.503 ' HD2' ' CE2' ' A' ' 32' ' ' TRP . 4.0 tttt -122.92 104.7 9.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.6 ' OE1' ' CE1' ' A' ' 95' ' ' TYR . 7.6 tp60 -65.05 140.11 58.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -124.5 -50.12 1.76 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.449 ' O ' ' NE2' ' A' ' 18' ' ' GLN . 89.5 mmm -128.56 141.44 51.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 110.967 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -106.08 -10.61 16.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.264 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . -178.38 154.57 0.82 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -43.85 111.32 0.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 111.018 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.85 -35.3 3.54 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.505 1.128 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.477 ' CE ' ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -66.06 123.4 19.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 0.744 . . . . 0.0 109.282 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.477 ' O ' ' CE ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -91.78 139.56 30.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.469 ' CB ' ' HG3' ' A' ' 18' ' ' GLN . . . -66.9 125.93 27.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.63 -72.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -106.17 121.93 45.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 43.0 mtm180 -113.04 65.59 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.281 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.1 m -106.56 164.12 12.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.028 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.503 ' CE2' ' HD2' ' A' ' 17' ' ' LYS . 76.1 m95 -92.56 129.65 38.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 108.044 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.585 ' O ' HG23 ' A' ' 35' ' ' VAL . 9.6 mp0 -145.97 122.05 10.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.302 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -62.39 103.31 0.39 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 33' ' ' GLN . 59.5 t -120.04 126.53 75.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.682 ' CE1' ' HB2' ' A' ' 50' ' ' ALA . 21.0 t80 -70.32 114.28 8.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 111.001 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.695 ' SG ' HD11 ' A' ' 44' ' ' LEU . 0.3 OUTLIER -79.37 128.64 33.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 108.29 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 60.1 t -126.93 105.68 14.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 1.047 HD22 HG12 ' A' ' 111' ' ' VAL . 0.8 OUTLIER -97.12 136.74 37.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.095 . . . . 0.0 109.331 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -172.77 140.86 1.01 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 110.25 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 54.95 24.38 5.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.718 ' HA2' ' HB1' ' A' ' 115' ' ' ALA . . . 74.02 35.27 54.13 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.567 1.167 . . . . 0.0 110.944 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.3 m -137.69 128.45 27.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 0.775 . . . . 0.0 109.996 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.695 HD11 ' SG ' ' A' ' 37' ' ' CYS . 32.8 tp -92.8 112.23 24.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -104.09 148.81 16.98 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.534 1.146 . . . . 0.0 111.042 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.542 ' HB3' HG11 ' A' ' 35' ' ' VAL . 42.3 m-85 -110.58 133.6 53.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 0.79 . . . . 0.0 110.974 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.433 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 33.6 m-85 -141.57 153.15 44.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.423 1.077 . . . . 0.0 111.034 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.0 tptt -44.94 -65.65 0.5 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.472 ' HA ' ' CE ' ' A' ' 13' ' ' MET . 0.2 OUTLIER -151.04 -175.82 5.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 109.327 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.682 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . . . -62.75 -13.56 34.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.437 ' HD2' ' N ' ' A' ' 51' ' ' LYS . 11.5 mptt -82.75 -19.54 37.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.402 ' HB1' ' O ' ' A' ' 57' ' ' VAL . . . -97.55 -26.95 14.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.64 -31.14 70.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.37 -44.73 15.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.021 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.29 -5.96 42.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 63.09 32.94 85.85 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.483 1.114 . . . . 0.0 111.029 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.402 ' O ' ' HB1' ' A' ' 52' ' ' ALA . 92.6 t -97.39 119.55 62.7 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.462 0.742 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 134.96 18.54 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.492 1.785 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -45.19 -65.26 0.56 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.943 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -124.81 44.05 2.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.592 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 53.79 20.93 14.28 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.493 1.121 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -84.33 134.99 34.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 0.749 . . . . 0.0 110.261 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -77.65 169.39 21.28 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 141.49 26.67 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.525 1.803 . . . . 0.0 111.011 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 20.7 m -83.75 125.34 40.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.48 124.0 23.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 110.014 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.539 HD11 HD12 ' A' ' 39' ' ' LEU . 6.2 mt -87.64 45.41 1.27 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -83.56 120.16 25.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.3 mtt85 57.9 16.66 3.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.341 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.47 ' O ' HD13 ' A' ' 116' ' ' ILE . . . -80.34 155.56 27.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -125.88 142.19 51.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.274 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -127.3 123.95 4.76 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.496 1.123 . . . . 0.0 111.0 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 86' ' ' LYS . 11.6 t -136.39 160.99 37.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 110.027 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.76 HG22 ' HE3' ' A' ' 105' ' ' MET . 69.1 t -70.37 157.02 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.987 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 20.5 mttt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 52.43 66.7 1.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.609 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.46 HG22 ' HG3' ' A' ' 98' ' ' GLN . 91.9 t -133.65 138.18 51.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.589 ' CZ ' ' HB2' ' A' ' 97' ' ' PHE . 4.8 p90 -130.67 144.37 51.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.541 ' HE2' HD21 ' A' ' 96' ' ' LEU . 6.4 ttmt -97.06 128.8 44.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.573 HD13 HG11 ' A' ' 112' ' ' VAL . 68.2 tp -107.29 101.42 10.8 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.145 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -93.62 114.58 4.75 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.561 1.163 . . . . 0.0 110.995 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.479 ' HB2' ' CB ' ' A' ' 93' ' ' LYS . 5.6 mt -75.0 175.85 7.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 0.764 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -83.68 -14.98 50.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.311 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -104.29 43.54 1.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 50.06 36.67 28.43 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.486 1.116 . . . . 0.0 111.035 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.479 ' CB ' ' HB2' ' A' ' 89' ' ' LEU . 0.2 OUTLIER -106.86 98.14 7.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 0.778 . . . . 0.0 109.269 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -98.84 138.47 35.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.232 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.6 ' CE1' ' OE1' ' A' ' 18' ' ' GLN . 46.2 m-85 -134.39 151.37 51.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.975 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.541 HD21 ' HE2' ' A' ' 86' ' ' LYS . 15.0 mt -116.16 124.78 51.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.618 ' HB3' HD23 ' A' ' 14' ' ' LEU . 98.5 m-85 -127.43 127.02 43.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.46 ' HG3' HG22 ' A' ' 84' ' ' VAL . 32.1 tt0 -103.95 112.0 24.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.254 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.425 ' HA ' HD11 ' A' ' 14' ' ' LEU . . . -79.86 178.38 8.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.1 ptpp? -78.23 -38.19 43.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -157.14 -176.37 5.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -56.94 -41.36 78.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 110.256 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.81 -71.55 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -41.59 -43.45 2.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.76 ' HE3' HG22 ' A' ' 74' ' ' VAL . 15.7 ttp -66.59 -68.07 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.933 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -41.43 -47.22 3.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.984 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.767 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.3 OUTLIER -55.65 -56.03 25.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.002 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.567 ' CH2' ' HB3' ' A' ' 37' ' ' CYS . 26.4 m95 -43.41 -64.2 0.69 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 0.0 107.999 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.581 HD21 ' CG ' ' A' ' 85' ' ' PHE . 1.1 mm? -44.02 -51.08 8.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.405 ' HB3' ' O ' ' A' ' 107' ' ' SER . 43.8 ttt180 -56.58 -36.22 69.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 1.047 HG12 HD22 ' A' ' 39' ' ' LEU . 21.3 t -78.11 -60.08 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.573 HG11 HD13 ' A' ' 87' ' ' LEU . 94.3 t -46.44 -38.26 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -71.36 -36.85 71.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 111' ' ' VAL . . . -69.14 -16.37 63.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.718 ' HB1' ' HA2' ' A' ' 42' ' ' GLY . . . -93.03 -47.46 6.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.47 HD13 ' O ' ' A' ' 70' ' ' ALA . 30.6 mt -52.33 -60.27 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -50.32 -63.29 1.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.984 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.457 ' HA ' HD23 ' A' ' 39' ' ' LEU . 4.2 mt-30 -104.26 151.58 23.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.606 ' HE1' ' CD1' ' A' ' 108' ' ' TRP . 6.7 ttt -153.5 128.31 9.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.957 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.453 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 11.8 pt-20 -144.66 123.01 12.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.339 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.47 160.87 34.57 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.729 ' O ' HD12 ' A' ' 14' ' ' LEU . 2.2 mmt -58.78 124.82 21.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 0.763 . . . . 0.0 110.971 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.883 HD23 ' HB3' ' A' ' 97' ' ' PHE . 1.5 mp -145.22 154.74 42.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 97' ' ' PHE . 0.5 OUTLIER -97.77 96.3 8.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 108.307 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.571 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 8.4 ttp180 -88.04 118.56 27.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.317 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.423 ' HD2' ' NE1' ' A' ' 32' ' ' TRP . 5.4 tttt -120.97 100.73 7.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.47 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 44.2 tt0 -67.1 110.02 3.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -85.39 -55.95 3.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.266 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.488 ' CE ' ' O ' ' A' ' 25' ' ' LYS . 86.6 mmm -121.34 160.48 23.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 111.069 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.533 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 5.9 tt0 -110.78 -12.34 14.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.533 ' HB2' ' O ' ' A' ' 21' ' ' GLU . . . 173.58 173.47 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -46.72 117.87 1.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 58.14 16.13 25.09 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.488 ' O ' ' CE ' ' A' ' 20' ' ' MET . 0.0 OUTLIER -103.5 126.9 50.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 0.749 . . . . 0.0 109.274 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.71 138.07 32.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 109.348 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.47 ' CB ' ' HG2' ' A' ' 18' ' ' GLN . . . -79.31 138.21 37.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.03 -71.15 0.09 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.46 1.1 . . . . 0.0 109.35 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -112.06 128.76 56.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.333 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.6 mtm180 -119.12 58.78 0.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.271 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.5 m -108.23 161.05 15.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.958 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.423 ' NE1' ' HD2' ' A' ' 17' ' ' LYS . 87.5 m95 -82.44 128.64 34.46 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.45 ' O ' HG23 ' A' ' 35' ' ' VAL . 46.1 mt-30 -142.38 137.25 30.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.264 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 13.8 p-10 -68.18 104.3 1.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.49 ' CG1' ' HB3' ' A' ' 46' ' ' PHE . 24.0 t -126.75 122.02 59.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.558 ' CE1' ' HB2' ' A' ' 50' ' ' ALA . 56.5 t80 -72.19 112.42 8.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 111.039 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.726 ' SG ' HD11 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -76.23 131.62 39.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 108.276 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 83.9 t -129.62 105.35 12.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 1.075 HD22 HG12 ' A' ' 111' ' ' VAL . 0.8 OUTLIER -95.73 135.94 36.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -172.32 144.52 1.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 110.313 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.89 20.46 1.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 110.301 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.73 ' HA2' ' HB1' ' A' ' 115' ' ' ALA . . . 78.22 31.67 46.26 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.466 1.104 . . . . 0.0 111.014 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 95.3 p -134.0 132.61 40.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 0.78 . . . . 0.0 110.051 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.726 HD11 ' SG ' ' A' ' 37' ' ' CYS . 36.8 tp -94.91 111.5 23.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -101.09 155.83 19.16 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.502 1.127 . . . . 0.0 110.978 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.574 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 41.5 m-85 -118.85 140.14 50.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 0.759 . . . . 0.0 110.997 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.574 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 25.6 m-85 -148.0 166.47 27.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.988 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -58.17 -60.04 4.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.565 ' H ' ' HB3' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -153.49 -175.88 5.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.558 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . . . -65.06 -18.48 65.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.8 mmtp -84.78 -18.33 35.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.565 ' HB3' ' H ' ' A' ' 49' ' ' ASP . . . -95.35 -19.92 19.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.45 -43.59 22.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.7 t -69.53 -27.27 65.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.987 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.1 -4.26 58.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.294 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 64.06 30.3 77.38 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.139 . . . . 0.0 111.016 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 58.2 t -97.96 116.46 65.67 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.506 0.768 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 139.82 24.54 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.487 1.782 . . . . 0.0 110.962 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -47.55 -65.48 0.56 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 111.03 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.5 ' CB ' ' OE2' ' A' ' 62' ' ' GLU . 1.6 m80 -123.28 22.98 9.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.578 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.33 -8.89 59.9 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.484 1.115 . . . . 0.0 111.051 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.5 ' OE2' ' CB ' ' A' ' 60' ' ' HIS . 0.0 OUTLIER -49.85 160.34 0.32 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 0.758 . . . . 0.0 110.26 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -104.44 168.77 8.05 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 137.97 22.4 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.521 1.801 . . . . 0.0 111.023 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.484 ' HB ' ' CD1' ' A' ' 89' ' ' LEU . 28.8 m -83.14 132.64 30.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 89.3 p -75.06 127.53 33.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.988 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.612 HD11 HD12 ' A' ' 39' ' ' LEU . 7.0 mt -92.6 30.34 1.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -78.19 114.09 16.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 66.46 21.28 10.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.09 . . . . 0.0 110.324 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.27 168.94 17.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.494 ' O ' HD12 ' A' ' 87' ' ' LEU . 6.7 pt20 -125.77 135.59 52.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.268 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -130.09 109.13 0.9 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.506 1.129 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 75.1 m -136.48 160.64 38.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 0.764 . . . . 0.0 109.981 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.885 HG22 ' HE3' ' A' ' 105' ' ' MET . 91.7 t -68.91 158.62 5.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 84' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.475 ' C ' ' CG ' ' A' ' 83' ' ' HIS . 27.1 mttm . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.475 ' CG ' ' C ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER 58.32 68.46 0.83 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.581 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.469 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 72.6 t -132.09 127.01 57.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.611 ' CG ' HD21 ' A' ' 109' ' ' LEU . 11.8 p90 -122.76 142.67 50.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.443 ' HA ' HD23 ' A' ' 96' ' ' LEU . 27.0 ttmt -89.19 149.53 23.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.251 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.494 HD12 ' O ' ' A' ' 71' ' ' GLN . 50.0 tp -134.03 99.22 4.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -98.35 114.65 5.07 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.484 ' CD1' ' HB ' ' A' ' 65' ' ' VAL . 6.2 mt -76.84 170.16 16.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 0.757 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -75.25 -15.35 60.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.316 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.01 11.34 18.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.097 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 76.35 22.81 72.38 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.524 1.14 . . . . 0.0 110.968 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -92.58 114.2 26.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 0.775 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -107.19 125.22 50.82 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.118 . . . . 0.0 110.263 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -124.84 159.99 29.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' A' ' 86' ' ' LYS . 60.1 mt -130.58 118.67 21.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.883 ' HB3' HD23 ' A' ' 14' ' ' LEU . 92.9 m-85 -119.17 129.78 55.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.944 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -101.54 109.97 21.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.32 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.642 ' HA ' HD11 ' A' ' 14' ' ' LEU . . . -71.27 174.14 6.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.408 ' O ' ' CG ' ' A' ' 101' ' ' ASP . 1.5 pttt -79.06 -24.63 43.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.408 ' CG ' ' O ' ' A' ' 100' ' ' LYS . 7.1 m-20 -171.43 -175.99 1.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -55.83 -46.24 78.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 110.291 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 104' ' ' GLU . . . -55.21 -71.39 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.425 1.078 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 103' ' ' ALA . 0.8 OUTLIER -38.77 -45.02 1.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.321 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.885 ' HE3' HG22 ' A' ' 74' ' ' VAL . 12.9 ttp -63.5 -68.03 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.64 -45.4 4.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 110.01 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.916 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.3 OUTLIER -56.26 -52.71 63.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.142 . . . . 0.0 109.997 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.606 ' CD1' ' HE1' ' A' ' 10' ' ' MET . 38.0 m95 -48.13 -67.45 0.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 107.945 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.611 HD21 ' CG ' ' A' ' 85' ' ' PHE . 1.3 mm? -40.34 -50.72 2.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -57.08 -42.13 80.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 110.298 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 1.075 HG12 HD22 ' A' ' 39' ' ' LEU . 16.7 t -72.9 -60.19 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 108' ' ' TRP . 79.6 t -46.16 -38.39 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.407 ' ND2' ' O ' ' A' ' 109' ' ' LEU . 16.9 m-80 -71.07 -37.39 72.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 109.334 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 111' ' ' VAL . . . -69.22 -15.7 63.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.73 ' HB1' ' HA2' ' A' ' 42' ' ' GLY . . . -93.34 -44.59 8.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 49.8 mt -55.35 -59.62 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -49.7 -62.92 1.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.992 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.63 ' HA ' HD23 ' A' ' 39' ' ' LEU . 6.2 mp0 -95.28 148.9 21.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.291 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.696 ' HB2' HG11 ' A' ' 111' ' ' VAL . 4.2 ttt -147.97 133.7 18.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.457 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 6.4 pt-20 -145.49 131.32 19.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.574 1.171 . . . . 0.0 110.329 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -172.18 153.44 19.33 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.465 1.103 . . . . 0.0 111.021 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.45 ' O ' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -61.45 111.86 1.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 0.745 . . . . 0.0 110.993 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.644 HD23 ' HB3' ' A' ' 97' ' ' PHE . 1.3 mp -128.33 155.16 45.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.425 ' O ' ' O ' ' A' ' 96' ' ' LEU . 0.1 OUTLIER -92.49 95.41 9.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 0.0 108.3 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.567 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 15.3 ttp180 -88.75 121.95 31.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -124.28 108.18 11.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.257 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.556 ' HG2' ' HB1' ' A' ' 27' ' ' ALA . 2.6 tt0 -69.28 118.34 12.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.441 ' O ' ' NE ' ' A' ' 30' ' ' ARG . 4.3 mm-40 -102.02 -55.85 2.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.113 . . . . 0.0 110.299 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 89.3 mmm -121.55 155.34 35.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.468 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 11.7 tt0 -114.15 -11.26 12.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 110.311 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.551 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . . . 177.14 169.9 0.56 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -50.21 109.54 0.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 111.022 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.41 -1.01 58.65 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.499 1.124 . . . . 0.0 110.988 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.551 ' HB3' ' HB3' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -89.35 119.7 30.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 0.765 . . . . 0.0 109.305 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.2 140.23 29.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.556 ' HB1' ' HG2' ' A' ' 18' ' ' GLN . . . -76.03 127.66 33.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 27' ' ' ALA . . . -39.77 -63.72 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -114.62 119.81 38.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 109.352 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.441 ' NE ' ' O ' ' A' ' 19' ' ' GLU . 12.4 mtp180 -114.29 66.32 0.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.56 1.163 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.6 m -109.01 166.08 11.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.424 1.078 . . . . 0.0 110.046 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.432 ' CH2' ' HB3' ' A' ' 96' ' ' LEU . 73.1 m95 -91.95 129.86 37.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 108.013 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.499 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.6 mt-30 -147.04 124.53 11.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 110.309 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -62.41 103.8 0.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 33' ' ' GLN . 87.7 t -118.93 127.09 75.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.598 ' CE1' ' HB2' ' A' ' 50' ' ' ALA . 7.2 t80 -70.19 108.31 4.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.112 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.604 ' SG ' ' CE1' ' A' ' 97' ' ' PHE . 0.5 OUTLIER -77.66 130.17 36.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 108.325 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 44.4 t -127.89 105.32 13.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.855 HD22 HG12 ' A' ' 111' ' ' VAL . 0.6 OUTLIER -101.23 142.49 32.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.475 ' O ' ' N ' ' A' ' 42' ' ' GLY . 3.0 tpt180 -134.54 -149.19 0.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.328 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 33.1 ttt180 -64.21 72.77 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 40' ' ' ARG . . . 72.51 56.12 6.31 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.431 ' O ' ' HA ' ' A' ' 39' ' ' LEU . 64.8 p -160.44 166.39 29.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 0.746 . . . . 0.0 109.951 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.522 HD11 ' SG ' ' A' ' 37' ' ' CYS . 30.3 tp -150.49 101.14 2.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -103.27 145.92 16.37 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.466 1.104 . . . . 0.0 111.026 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.528 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 62.1 m-85 -104.27 144.82 31.1 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 0.779 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.528 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 20.6 m-85 -144.47 146.05 32.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.545 ' HA ' ' CD2' ' A' ' 59' ' ' TYR . 17.9 ttpt -37.47 -63.46 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.242 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 48' ' ' LYS . 7.4 m-20 -156.34 -175.55 5.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.157 . . . . 0.0 109.331 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.598 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . . . -63.31 -13.7 41.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.0 mmtm -82.86 -25.3 32.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.254 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -90.4 -31.25 16.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.6 -46.4 82.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.4 t -64.64 -29.82 70.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.964 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.481 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -92.48 6.91 45.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.256 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 50.73 39.86 39.75 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.504 1.127 . . . . 0.0 111.031 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 55' ' ' ALA . 93.0 t -107.05 116.58 58.22 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.551 0.795 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 140.46 25.53 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.442 1.759 . . . . 0.0 110.968 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.545 ' CD2' ' HA ' ' A' ' 48' ' ' LYS . 0.4 OUTLIER -65.28 113.72 4.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 110.98 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 11.4 m170 57.91 16.67 3.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.625 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.13 42.02 52.25 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.493 1.12 . . . . 0.0 110.997 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -87.68 120.64 29.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 0.74 . . . . 0.0 110.298 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -71.23 164.7 54.94 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 161.23 39.18 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.498 1.789 . . . . 0.0 111.035 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.434 HG22 ' O ' ' A' ' 44' ' ' LEU . 19.1 m -109.56 123.02 65.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.9 m -69.89 124.98 25.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.984 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.586 HD11 HD12 ' A' ' 39' ' ' LEU . 14.0 mt -86.01 47.61 1.48 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -85.01 106.37 16.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 13.0 mtm180 70.39 16.12 7.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 110.255 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.725 ' O ' HD13 ' A' ' 116' ' ' ILE . . . -80.88 150.75 28.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -132.17 150.39 52.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.284 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -134.32 130.92 5.73 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.508 1.13 . . . . 0.0 110.973 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 86' ' ' LYS . 1.5 t -137.21 154.0 50.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 0.755 . . . . 0.0 109.997 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.716 HG22 ' CE ' ' A' ' 105' ' ' MET . 73.8 t -62.53 145.86 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.959 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 25.2 mtpt . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 52.83 68.05 0.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 109.568 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 92.2 t -128.02 131.52 69.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.251 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.58 ' CZ ' ' HB2' ' A' ' 97' ' ' PHE . 6.2 p90 -127.45 145.01 50.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.452 ' CD ' ' HG2' ' A' ' 94' ' ' GLU . 14.7 ttmt -94.64 134.07 37.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.557 HD13 HG11 ' A' ' 112' ' ' VAL . 57.2 tp -116.67 105.43 12.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -98.26 115.82 5.39 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.47 1.107 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 5.6 mt -76.05 -174.93 2.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 0.735 . . . . 0.0 109.322 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -88.5 -22.7 23.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 110.316 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -92.17 35.3 1.0 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.271 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 55.28 38.63 68.89 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.556 1.16 . . . . 0.0 111.016 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.78 105.64 15.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 0.775 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.452 ' HG2' ' CD ' ' A' ' 86' ' ' LYS . 0.6 OUTLIER -105.11 125.09 50.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.287 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -120.27 163.52 17.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 111.016 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.432 ' HB3' ' CH2' ' A' ' 32' ' ' TRP . 20.3 mt -128.43 116.19 19.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.16 . . . . 0.0 109.307 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.644 ' HB3' HD23 ' A' ' 14' ' ' LEU . 93.1 m-85 -116.97 138.23 51.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 110.97 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -114.34 107.05 15.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.322 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.618 ' HA ' HD11 ' A' ' 14' ' ' LEU . . . -70.7 176.34 4.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 8.5 pttt -79.76 -33.88 40.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -157.82 -175.84 5.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.32 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -60.16 -36.55 77.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.57 1.169 . . . . 0.0 110.264 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.96 -71.69 0.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.145 . . . . 0.0 109.269 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -38.58 -45.25 1.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.333 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.716 ' CE ' HG22 ' A' ' 74' ' ' VAL . 17.2 ttp -64.35 -67.65 0.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.982 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -40.02 -47.53 2.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.014 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.884 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.3 OUTLIER -56.08 -55.17 36.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.993 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.525 ' CD2' ' HG2' ' A' ' 10' ' ' MET . 36.1 m95 -43.53 -68.23 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 108.038 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.576 HD21 ' CG ' ' A' ' 85' ' ' PHE . 2.0 mm? -40.15 -51.93 2.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.407 ' HB3' ' O ' ' A' ' 107' ' ' SER . 35.6 ttp180 -57.05 -42.83 81.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.884 HG23 ' O ' ' A' ' 107' ' ' SER . 12.7 t -70.29 -60.11 2.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.557 HG11 HD13 ' A' ' 87' ' ' LEU . 71.6 t -44.71 -39.01 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -71.18 -38.42 72.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 111' ' ' VAL . . . -71.96 -21.5 61.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.661 ' HB2' HD21 ' A' ' 39' ' ' LEU . . . -85.11 -43.37 13.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.248 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.725 HD13 ' O ' ' A' ' 70' ' ' ALA . 22.1 mt -57.59 -60.74 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -45.61 -57.96 3.79 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.558 1.161 . . . . 0.0 109.263 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.3 t . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.126 . . . . 0.0 109.997 -179.986 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.424 ' OE2' ' NH1' ' A' ' 110' ' ' ARG . 3.4 mt-10 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -97.51 149.52 22.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.273 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.659 ' CB ' HG11 ' A' ' 111' ' ' VAL . 5.0 ttt -152.97 132.14 12.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 111.029 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.429 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 1.3 pm0 -148.28 130.18 15.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -172.47 160.75 32.11 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.472 1.107 . . . . 0.0 111.039 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.699 ' O ' HD12 ' A' ' 14' ' ' LEU . 1.5 mmt -61.12 122.73 15.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 0.801 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.816 HD23 ' HB3' ' A' ' 97' ' ' PHE . 1.5 mp -142.51 154.22 44.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.422 ' O ' ' O ' ' A' ' 96' ' ' LEU . 0.1 OUTLIER -94.54 95.78 9.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.122 . . . . 0.0 108.281 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.486 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 9.3 ttp180 -89.65 119.5 30.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.332 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.413 ' O ' ' CD ' ' A' ' 19' ' ' GLU . 5.2 tttt -124.62 108.7 12.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.794 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 54.1 tt0 -68.27 110.6 4.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.3 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.413 ' CD ' ' O ' ' A' ' 17' ' ' LYS . 26.7 mp0 -84.4 -60.07 2.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.133 . . . . 0.0 110.333 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 80.2 mmm -122.63 150.2 42.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.981 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.545 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 8.7 tt0 -103.35 -11.33 17.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.545 ' HB2' ' O ' ' A' ' 21' ' ' GLU . . . 172.91 164.69 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -45.81 108.75 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 111.039 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 88.65 -34.38 3.89 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.542 1.151 . . . . 0.0 111.0 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.402 ' CE ' ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -74.21 127.9 34.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 0.759 . . . . 0.0 109.347 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.402 ' O ' ' CE ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -109.71 138.56 45.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.794 ' HB2' ' HG2' ' A' ' 18' ' ' GLN . . . -55.1 119.86 6.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.56 -54.2 2.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -106.77 118.9 37.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.322 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 50.6 mtm180 -115.53 72.56 0.8 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 110.308 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.405 ' O ' ' OE1' ' A' ' 33' ' ' GLN . 0.1 OUTLIER -120.27 159.1 25.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.016 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 75.3 m95 -88.18 132.05 34.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 108.008 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.535 ' O ' HG23 ' A' ' 35' ' ' VAL . 6.3 mp0 -146.12 129.53 16.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -66.31 103.85 1.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.091 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.569 HG11 ' HB3' ' A' ' 46' ' ' PHE . 41.6 t -119.52 125.1 74.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.555 ' CE2' ' HA ' ' A' ' 50' ' ' ALA . 14.1 t80 -69.26 108.05 3.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.604 ' SG ' HD11 ' A' ' 44' ' ' LEU . 0.5 OUTLIER -75.56 129.16 36.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 108.287 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 97.6 t -129.34 105.35 12.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.947 HD22 HG12 ' A' ' 111' ' ' VAL . 0.8 OUTLIER -95.81 136.07 36.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -168.67 148.77 4.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.346 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 42.62 29.8 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.328 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.67 ' HA2' ' HB1' ' A' ' 115' ' ' ALA . . . 69.38 50.93 29.33 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 58.3 p -153.46 125.25 7.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 0.768 . . . . 0.0 109.993 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.604 HD11 ' SG ' ' A' ' 37' ' ' CYS . 27.5 tp -90.24 109.4 20.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -99.73 147.44 18.25 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.493 1.121 . . . . 0.0 111.013 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.569 ' HB3' HG11 ' A' ' 35' ' ' VAL . 41.7 m-85 -111.58 138.24 48.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 0.771 . . . . 0.0 110.971 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.456 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 56.7 m-85 -147.15 164.29 33.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 110.994 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.54 -60.82 2.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.551 ' H ' ' HB3' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -154.7 -177.97 6.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.555 ' HA ' ' CE2' ' A' ' 36' ' ' TYR . . . -62.71 -19.0 63.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 109.297 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.19 -17.7 39.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.331 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.551 ' HB3' ' H ' ' A' ' 49' ' ' ASP . . . -94.52 -35.14 12.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.484 ' HB2' ' HD2' ' A' ' 36' ' ' TYR . . . -65.63 -40.33 92.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.91 -36.86 80.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.042 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -83.1 1.68 39.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 58.12 37.12 85.02 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.454 1.096 . . . . 0.0 111.014 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.7 t -101.14 116.42 63.92 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.484 0.755 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 132.66 15.61 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.505 1.792 . . . . 0.0 110.986 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -44.66 -64.13 0.76 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -124.85 47.39 2.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 109.596 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 50.31 23.48 6.1 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.467 1.105 . . . . 0.0 110.98 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -83.82 158.0 21.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 0.747 . . . . 0.0 110.325 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -102.67 168.79 8.35 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 140.35 25.37 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.518 1.799 . . . . 0.0 111.023 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.41 ' HB ' HD11 ' A' ' 89' ' ' LEU . 4.1 m -86.61 124.96 40.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.1 p -68.83 127.96 34.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.947 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.517 HD11 HD12 ' A' ' 39' ' ' LEU . 5.3 mt -92.14 37.75 0.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -86.68 118.28 25.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 109.331 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 64.45 26.39 13.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.28 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -93.55 169.55 10.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.41 ' O ' HD12 ' A' ' 87' ' ' LEU . 4.2 mm-40 -131.83 140.0 49.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -130.29 117.64 2.33 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.536 1.147 . . . . 0.0 110.997 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 86' ' ' LYS . 15.4 t -134.71 161.39 35.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 0.781 . . . . 0.0 109.994 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.732 HG22 ' HE3' ' A' ' 105' ' ' MET . 53.5 t -70.99 158.86 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.368 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.661 ' O ' HG23 ' A' ' 84' ' ' VAL . 10.6 mttt . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.404 ' HA ' ' SD ' ' A' ' 105' ' ' MET . 0.0 OUTLIER 44.38 63.67 1.58 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.547 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 82' ' ' LYS . 97.0 t -132.09 138.34 52.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.364 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.619 ' CG ' HD21 ' A' ' 109' ' ' LEU . 4.9 p90 -127.67 149.58 50.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 0.0 110.958 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 73' ' ' SER . 20.9 ttmt -99.45 138.23 36.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.41 HD12 ' O ' ' A' ' 71' ' ' GLN . 42.0 tp -121.8 107.3 12.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -107.05 114.81 4.44 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.483 1.114 . . . . 0.0 110.986 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.529 HD23 ' N ' ' A' ' 89' ' ' LEU . 4.4 mt -76.27 176.27 8.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.572 0.807 . . . . 0.0 109.26 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -81.07 -16.02 54.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.452 1.095 . . . . 0.0 110.256 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.93 11.14 14.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 74.69 26.97 66.02 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.531 1.144 . . . . 0.0 110.996 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.77 114.06 26.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 0.756 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -107.1 134.72 49.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.342 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -133.38 153.16 51.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 111.023 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.422 ' O ' ' O ' ' A' ' 15' ' ' CYS . 33.6 mt -120.4 123.31 42.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.816 ' HB3' HD23 ' A' ' 14' ' ' LEU . 98.7 m-85 -122.07 128.36 51.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.98 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.482 ' HA ' HG22 ' A' ' 84' ' ' VAL . 31.2 tt0 -102.48 111.56 23.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 110.356 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.646 ' HA ' HD11 ' A' ' 14' ' ' LEU . . . -75.34 177.18 6.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 101' ' ' ASP . 0.0 OUTLIER -82.06 -25.72 34.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.252 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.42 ' N ' ' HG3' ' A' ' 100' ' ' LYS . 7.0 m-20 -170.15 -176.13 2.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -55.32 -46.75 76.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.318 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.16 -71.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -38.74 -45.86 1.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.323 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.732 ' HE3' HG22 ' A' ' 74' ' ' VAL . 13.5 ttp -63.97 -68.18 0.37 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.21 -45.7 5.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 110.053 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.846 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.3 OUTLIER -55.2 -55.1 35.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.984 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.561 ' CH2' ' HB3' ' A' ' 37' ' ' CYS . 34.1 m95 -44.63 -64.98 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 108.015 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.619 HD21 ' CG ' ' A' ' 85' ' ' PHE . 1.1 mm? -42.98 -51.73 5.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.413 1.071 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.424 ' NH1' ' OE2' ' A' ' 8' ' ' GLU . 34.6 ttp85 -56.1 -36.64 68.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.332 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.947 HG12 HD22 ' A' ' 39' ' ' LEU . 17.4 t -77.67 -59.77 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.48 ' N ' ' O ' ' A' ' 108' ' ' TRP . 93.4 t -46.33 -38.52 3.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -71.26 -36.47 71.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 111' ' ' VAL . . . -69.87 -15.75 63.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.67 ' HB1' ' HA2' ' A' ' 42' ' ' GLY . . . -93.08 -47.15 7.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 35.3 mt -52.88 -61.25 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 109.334 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -46.98 -63.33 1.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 13.6 t . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.045 179.961 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.449 ' N ' ' OE1' ' A' ' 8' ' ' GLU . 3.4 mp0 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.498 ' HA ' HD23 ' A' ' 39' ' ' LEU . 0.6 OUTLIER -122.87 149.77 43.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.267 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.622 ' HE1' ' CD1' ' A' ' 108' ' ' TRP . 7.2 ttt -155.1 128.9 8.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.464 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 8.7 pt-20 -144.66 123.25 12.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 110.354 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.72 160.74 34.45 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.52 1.137 . . . . 0.0 110.997 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.727 ' O ' HD12 ' A' ' 14' ' ' LEU . 1.8 mmt -59.08 124.54 20.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 0.759 . . . . 0.0 111.039 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.827 HD23 ' HB3' ' A' ' 97' ' ' PHE . 1.6 mp -144.12 153.76 42.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.424 ' O ' ' O ' ' A' ' 96' ' ' LEU . 0.1 OUTLIER -96.69 96.41 8.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 108.284 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.576 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 12.6 ttp180 -87.98 109.46 19.84 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.531 ' HD3' ' CE2' ' A' ' 32' ' ' TRP . 0.1 OUTLIER -116.29 99.93 7.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.482 ' HG3' ' CB ' ' A' ' 27' ' ' ALA . 3.5 tp60 -59.91 140.89 56.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.326 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.445 ' N ' ' OE1' ' A' ' 18' ' ' GLN . 4.5 mm-40 -125.23 -54.56 1.59 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 110.324 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.457 ' CE ' ' O ' ' A' ' 25' ' ' LYS . 1.2 mtp -120.84 137.99 54.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.447 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 9.6 tt0 -100.9 -10.17 20.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.623 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . . . 177.66 166.03 0.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.329 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -47.41 104.99 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.77 -18.58 19.8 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.623 ' HB3' ' HB3' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -70.69 116.35 10.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 0.747 . . . . 0.0 109.314 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.88 139.48 31.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.482 ' CB ' ' HG3' ' A' ' 18' ' ' GLN . . . -72.92 130.36 40.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.86 -65.68 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -112.26 123.22 49.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.7 mtm180 -116.97 63.81 0.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.335 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.8 m -104.36 160.31 15.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.531 ' CE2' ' HD3' ' A' ' 17' ' ' LYS . 87.3 m95 -89.38 131.74 35.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 108.021 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.466 ' O ' HG23 ' A' ' 35' ' ' VAL . 40.3 mt-30 -147.35 137.06 22.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.153 . . . . 0.0 110.28 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -69.32 103.72 2.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.125 . . . . 0.0 109.316 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.487 ' CG1' ' HB3' ' A' ' 46' ' ' PHE . 22.0 t -122.69 123.72 68.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.254 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.549 ' CE1' ' HB2' ' A' ' 50' ' ' ALA . 48.5 t80 -74.39 111.14 9.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.085 . . . . 0.0 111.007 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.777 ' SG ' HD11 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -76.42 130.61 38.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 108.319 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 72.7 t -127.49 105.78 14.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 1.043 HD22 HG12 ' A' ' 111' ' ' VAL . 0.6 OUTLIER -99.17 138.52 36.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.36 145.34 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.254 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 54.29 19.14 2.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.575 1.172 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.597 ' HA2' ' HB1' ' A' ' 115' ' ' ALA . . . 76.76 42.29 21.46 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.486 1.117 . . . . 0.0 110.968 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 76.3 p -146.17 127.76 15.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 0.775 . . . . 0.0 110.031 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.777 HD11 ' SG ' ' A' ' 37' ' ' CYS . 35.3 tp -93.02 112.6 24.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.44 158.08 18.13 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.509 1.131 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.588 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 43.9 m-85 -120.68 138.63 53.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 0.76 . . . . 0.0 110.992 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.588 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 29.5 m-85 -149.58 164.37 35.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.96 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.97 -67.03 0.29 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.477 ' HA ' ' CE ' ' A' ' 13' ' ' MET . 0.6 OUTLIER -151.33 -177.7 6.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.549 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . . . -63.11 -13.16 33.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -82.12 -28.02 32.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . -85.8 -48.52 8.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -46.21 -53.8 9.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.6 t -51.41 -47.15 63.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.98 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.44 -34.97 78.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 52' ' ' ALA . . . 92.9 30.54 9.39 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.529 1.143 . . . . 0.0 110.984 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 47.0 t -99.27 123.91 46.9 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.54 0.788 . . . . 0.0 109.332 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 137.32 21.57 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.477 1.777 . . . . 0.0 110.979 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -46.44 -65.53 0.54 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -124.81 50.42 1.74 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.606 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 51.83 20.34 5.99 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -80.02 159.11 26.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 0.748 . . . . 0.0 110.263 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -105.92 168.25 8.51 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 141.28 26.41 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.482 1.78 . . . . 0.0 110.998 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.401 ' HB ' ' CD1' ' A' ' 89' ' ' LEU . 25.2 m -88.51 125.99 41.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.9 p -69.33 129.5 39.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.033 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.698 HD11 HD12 ' A' ' 39' ' ' LEU . 6.9 mt -92.41 27.53 2.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.9 110.53 8.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.3 mtm180 69.44 17.93 7.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 110.341 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -78.12 158.61 29.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -116.37 125.66 52.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 110.325 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -118.74 113.29 2.54 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.535 1.147 . . . . 0.0 110.954 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -137.22 155.92 48.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 0.755 . . . . 0.0 109.992 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.463 ' HA ' ' CB ' ' A' ' 85' ' ' PHE . 0.9 OUTLIER -77.53 163.91 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.416 ' N ' ' HA ' ' A' ' 85' ' ' PHE . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.262 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.763 ' O ' HG23 ' A' ' 84' ' ' VAL . 13.0 mmtt . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 39.63 60.1 1.69 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.602 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 82' ' ' LYS . 74.4 t -125.01 137.12 58.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.599 ' CG ' HD21 ' A' ' 109' ' ' LEU . 8.6 p90 -126.12 148.59 49.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 111.012 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.9 ttmt -99.5 133.01 44.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 52.4 tp -114.59 110.5 19.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -107.55 114.57 4.29 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.451 HD23 ' N ' ' A' ' 89' ' ' LEU . 6.4 mt -76.0 165.67 24.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 0.786 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -68.56 -26.76 65.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.301 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -75.49 -3.17 32.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 89.57 26.68 24.47 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.499 1.124 . . . . 0.0 110.964 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.66 108.68 20.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 0.767 . . . . 0.0 109.273 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -101.66 116.67 33.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.33 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -116.03 158.85 22.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 111.006 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.424 ' O ' ' O ' ' A' ' 15' ' ' CYS . 14.4 mt -124.93 119.47 28.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.827 ' HB3' HD23 ' A' ' 14' ' ' LEU . 99.6 m-85 -121.65 124.93 45.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.568 ' HA ' HG22 ' A' ' 84' ' ' VAL . 31.0 tt0 -99.02 115.36 28.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.44 ' HA ' HD11 ' A' ' 14' ' ' LEU . . . -78.46 176.99 8.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.342 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.0 pttt -83.58 -41.24 18.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -150.16 176.9 10.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -52.03 -45.79 64.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.276 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.02 -67.54 0.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -39.39 -47.15 1.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.352 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.445 ' CE ' ' HB ' ' A' ' 74' ' ' VAL . 8.9 ttp -63.3 -68.71 0.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 111.019 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.04 -47.58 4.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.955 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.881 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.3 OUTLIER -54.78 -55.57 28.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.028 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.622 ' CD1' ' HE1' ' A' ' 10' ' ' MET . 27.4 m95 -44.51 -65.99 0.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 107.996 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.599 HD21 ' CG ' ' A' ' 85' ' ' PHE . 1.1 mm? -42.64 -52.27 4.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 34.5 ttt180 -55.53 -36.64 66.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.273 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 1.043 HG12 HD22 ' A' ' 39' ' ' LEU . 17.3 t -77.42 -58.17 4.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.414 ' N ' ' O ' ' A' ' 108' ' ' TRP . 97.2 t -48.73 -40.69 11.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -70.05 -37.45 75.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.406 ' HB1' ' CD ' ' A' ' 8' ' ' GLU . . . -70.27 -15.87 62.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.597 ' HB1' ' HA2' ' A' ' 42' ' ' GLY . . . -92.89 -47.39 7.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 25.5 mt -52.28 -61.71 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -53.35 -61.22 2.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.339 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 22.9 m . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 110.028 179.953 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.459 ' HA ' HD23 ' A' ' 39' ' ' LEU . 1.4 mt-30 -97.06 142.57 28.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.278 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.802 ' HB2' HG11 ' A' ' 111' ' ' VAL . 8.7 ttt -140.67 132.9 28.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.496 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 14.4 pt-20 -147.72 122.56 9.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.276 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -168.0 161.11 34.87 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.704 ' O ' HD12 ' A' ' 14' ' ' LEU . 1.6 mmt -59.11 125.93 25.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 0.766 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.902 HD23 ' HB3' ' A' ' 97' ' ' PHE . 1.4 mp -146.12 156.44 43.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -99.16 96.2 7.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 108.289 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.56 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 7.7 ttp180 -88.14 122.48 31.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.252 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.407 ' HD2' ' NE1' ' A' ' 32' ' ' TRP . 2.3 tttt -124.13 105.95 9.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.484 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 6.2 tt0 -67.82 111.84 4.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.255 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -91.72 -59.46 2.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.268 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.429 ' HE3' ' O ' ' A' ' 25' ' ' LYS . 74.7 mmm -118.5 156.06 29.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 111.005 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -113.34 -15.72 12.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 110.325 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . -175.82 157.19 1.92 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -41.32 108.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 111.011 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.71 -37.27 3.18 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.49 1.119 . . . . 0.0 110.951 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.476 ' CE ' ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -65.21 124.03 21.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 0.768 . . . . 0.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.476 ' O ' ' CE ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -96.61 139.92 31.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.484 ' CB ' ' HG2' ' A' ' 18' ' ' GLN . . . -65.21 130.19 42.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.59 -66.92 0.27 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 31.8 t30 -104.85 124.67 49.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.365 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 77.7 mtm180 -116.8 75.01 0.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.3 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.4 t -120.13 169.31 10.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.028 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.407 ' NE1' ' HD2' ' A' ' 17' ' ' LYS . 71.7 m95 -96.31 135.65 37.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 108.026 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -147.02 135.81 22.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.301 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -69.17 104.06 2.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.478 ' CG1' ' HB3' ' A' ' 46' ' ' PHE . 40.1 t -124.98 127.26 72.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.409 ' CD2' HG23 ' A' ' 38' ' ' VAL . 54.5 t80 -73.86 111.52 9.08 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.424 1.078 . . . . 0.0 111.031 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.768 ' SG ' HD11 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -76.35 129.86 37.24 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 108.296 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.409 HG23 ' CD2' ' A' ' 36' ' ' TYR . 29.4 t -127.29 104.72 12.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 1.085 HD22 HG12 ' A' ' 111' ' ' VAL . 0.7 OUTLIER -101.62 144.56 30.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 0.0 109.251 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 42' ' ' GLY . 2.3 tpt180 -138.51 -148.86 0.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -66.6 71.43 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.107 . . . . 0.0 110.304 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 40' ' ' ARG . . . 75.41 54.81 5.38 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.451 1.094 . . . . 0.0 111.026 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.441 ' O ' ' HA ' ' A' ' 39' ' ' LEU . 62.0 p -159.79 166.01 31.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 0.77 . . . . 0.0 109.987 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.768 HD11 ' SG ' ' A' ' 37' ' ' CYS . 39.6 tp -151.06 100.33 2.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -97.71 156.36 20.6 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.47 1.106 . . . . 0.0 111.01 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.596 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 66.9 m-85 -114.78 138.51 50.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 0.732 . . . . 0.0 111.015 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.596 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 13.3 m-85 -146.87 157.63 43.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.113 . . . . 0.0 110.964 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -48.59 -68.62 0.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.506 ' HA ' ' HE3' ' A' ' 13' ' ' MET . 0.3 OUTLIER -148.97 -174.47 4.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.405 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . . . -65.46 -11.56 44.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.6 mmtm -80.08 -31.46 39.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.38 -41.78 15.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -49.17 -51.96 29.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.6 t -63.94 -26.82 68.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 110.022 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.769 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -92.91 11.55 26.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 42.61 36.13 2.25 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.519 1.137 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.769 HG23 ' O ' ' A' ' 55' ' ' ALA . 95.0 t -102.55 119.94 54.53 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.445 0.732 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 133.88 17.1 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.483 1.781 . . . . 0.0 110.971 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -46.72 -65.56 0.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 110.99 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -121.51 43.16 2.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.665 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 51.8 24.92 14.35 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.49 1.118 . . . . 0.0 111.017 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -87.28 136.37 32.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.55 0.794 . . . . 0.0 110.279 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 64' ' ' PRO . 0.8 OUTLIER -79.29 170.85 14.31 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.425 ' O ' HG23 ' A' ' 63' ' ' VAL . 18.4 Cg_endo -75.02 159.3 41.45 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.421 1.748 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.427 ' HB ' ' CD1' ' A' ' 89' ' ' LEU . 24.6 m -104.78 124.1 59.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.353 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.8 m -68.31 127.31 32.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.986 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.717 HD11 HD12 ' A' ' 39' ' ' LEU . 13.4 mt -89.44 43.45 1.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.102 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -88.13 118.06 27.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 64.99 21.53 12.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 110.27 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.624 ' O ' HD13 ' A' ' 116' ' ' ILE . . . -92.32 165.53 13.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.415 ' O ' HD12 ' A' ' 87' ' ' LEU . 1.1 mm-40 -138.84 150.36 45.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -133.33 120.79 2.66 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.533 1.146 . . . . 0.0 110.998 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 86' ' ' LYS . 32.7 t -137.77 161.6 36.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 0.764 . . . . 0.0 109.986 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.753 HG22 ' CE ' ' A' ' 105' ' ' MET . 46.5 t -65.11 160.85 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.35 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.411 ' N ' HG12 ' A' ' 74' ' ' VAL . . . . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.506 ' C ' ' CG ' ' A' ' 83' ' ' HIS . 34.0 mttp . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.506 ' CG ' ' C ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER 59.23 60.21 2.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.552 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 88.6 t -124.76 129.27 73.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.708 ' CG ' HD21 ' A' ' 109' ' ' LEU . 11.9 p90 -128.28 143.59 51.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.949 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 73' ' ' SER . 27.9 ttmt -90.6 141.61 28.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.583 HD13 HG11 ' A' ' 112' ' ' VAL . 45.5 tp -125.0 98.77 5.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -94.61 114.55 4.84 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.479 1.112 . . . . 0.0 110.958 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.427 ' CD1' ' HB ' ' A' ' 65' ' ' VAL . 4.0 mt -72.67 -169.07 0.51 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 0.761 . . . . 0.0 109.26 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -94.94 -17.66 21.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.285 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -96.07 32.05 2.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 59.25 30.48 67.62 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.47 1.106 . . . . 0.0 111.028 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.35 106.03 17.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 0.765 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -101.71 138.16 39.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.422 1.076 . . . . 0.0 110.317 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.509 ' HB3' ' CE2' ' A' ' 97' ' ' PHE . 52.5 m-85 -132.89 160.87 35.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 111.039 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 47.2 mt -131.37 112.08 12.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.902 ' HB3' HD23 ' A' ' 14' ' ' LEU . 89.5 m-85 -115.02 125.76 53.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.966 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -99.43 112.26 24.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.443 ' HA ' HD11 ' A' ' 14' ' ' LEU . . . -73.29 178.53 4.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.88 -35.03 22.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -153.62 178.7 9.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -57.69 -40.06 78.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.13 . . . . 0.0 110.301 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.93 -66.27 0.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -40.18 -49.28 2.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.322 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.753 ' CE ' HG22 ' A' ' 74' ' ' VAL . 3.0 tmm? -61.14 -71.34 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 111.014 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.512 ' N ' ' SD ' ' A' ' 105' ' ' MET . 56.2 p -34.15 -48.47 0.32 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.981 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.813 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.3 OUTLIER -58.95 -55.54 33.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 110.013 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.586 ' O ' HG23 ' A' ' 112' ' ' VAL . 15.3 m95 -44.54 -51.32 9.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 108.026 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.708 HD21 ' CG ' ' A' ' 85' ' ' PHE . 2.8 mm? -56.83 -50.95 70.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 35.1 ttt85 -57.98 -42.24 84.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 110.309 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 1.085 HG12 HD22 ' A' ' 39' ' ' LEU . 16.0 t -69.22 -60.09 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.24 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 108' ' ' TRP . 72.1 t -45.07 -40.3 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -70.64 -38.57 73.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 111' ' ' VAL . . . -68.82 -19.08 64.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.732 ' HB2' HD21 ' A' ' 39' ' ' LEU . . . -88.06 -43.02 12.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.097 . . . . 0.0 109.312 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.624 HD13 ' O ' ' A' ' 70' ' ' ALA . 40.8 mt -54.78 -59.16 2.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -48.84 -59.29 3.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.563 1.165 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 0.0 109.987 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.414 ' HA ' HD23 ' A' ' 39' ' ' LEU . 2.0 mp0 -94.76 152.61 18.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.739 ' HB2' HG11 ' A' ' 111' ' ' VAL . 4.9 ttt -151.18 130.76 13.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.479 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 8.3 pt-20 -144.11 122.92 12.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -164.73 153.16 23.23 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.535 1.147 . . . . 0.0 111.005 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.729 ' O ' HD12 ' A' ' 14' ' ' LEU . 3.5 tpt -58.54 119.92 7.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 0.798 . . . . 0.0 110.964 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.729 HD12 ' O ' ' A' ' 13' ' ' MET . 1.8 mp -139.11 153.05 47.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -94.32 96.63 9.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 108.341 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.561 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 14.3 ttp180 -89.1 123.59 33.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -124.54 94.55 4.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.404 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 25.5 tt0 -61.11 110.31 1.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.454 ' O ' ' NE ' ' A' ' 30' ' ' ARG . 2.5 mm-40 -88.4 -51.75 5.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.404 ' SD ' ' O ' ' A' ' 25' ' ' LYS . 80.7 mmm -125.07 163.49 22.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.511 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 14.2 tt0 -115.07 -12.54 11.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.511 ' HB2' ' O ' ' A' ' 21' ' ' GLU . . . 174.59 173.28 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -47.69 118.5 2.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 110.991 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 59.05 14.41 24.49 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.515 1.135 . . . . 0.0 110.95 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.404 ' O ' ' SD ' ' A' ' 20' ' ' MET . 0.0 OUTLIER -101.07 121.59 42.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 0.754 . . . . 0.0 109.298 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -89.16 137.85 31.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 28' ' ' ALA . . . -76.01 138.28 40.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 27' ' ' ALA . . . -39.31 -62.74 0.62 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -133.17 119.23 19.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.454 ' NE ' ' O ' ' A' ' 19' ' ' GLU . 14.7 mtp180 -103.59 66.49 0.87 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.277 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.5 m -104.23 163.91 12.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.992 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 82.4 m95 -84.5 128.4 34.57 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 108.027 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.699 ' O ' HG23 ' A' ' 35' ' ' VAL . 64.8 mt-30 -147.36 123.87 11.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -60.85 102.99 0.22 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.699 HG23 ' O ' ' A' ' 33' ' ' GLN . 44.1 t -120.82 121.48 65.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.446 ' CE1' ' HB2' ' A' ' 50' ' ' ALA . 26.3 t80 -69.83 111.16 5.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 110.997 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.728 ' SG ' HD11 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -75.18 129.58 37.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 108.328 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.417 ' HB ' ' CE1' ' A' ' 47' ' ' TYR . 45.7 t -126.74 105.27 13.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.93 HD22 HG12 ' A' ' 111' ' ' VAL . 0.6 OUTLIER -102.2 144.01 31.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 42' ' ' GLY . 2.7 tpt180 -134.66 -148.36 0.31 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 110.339 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -66.18 69.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.324 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.567 ' HA2' ' HB1' ' A' ' 115' ' ' ALA . . . 77.55 55.98 4.06 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.446 ' O ' ' HA ' ' A' ' 39' ' ' LEU . 60.4 p -160.25 167.24 28.0 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.543 0.79 . . . . 0.0 109.993 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.728 HD11 ' SG ' ' A' ' 37' ' ' CYS . 52.4 tp -150.06 101.07 2.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -101.01 147.68 17.91 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.502 1.126 . . . . 0.0 111.016 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.481 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 67.9 m-85 -106.25 136.15 46.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 0.733 . . . . 0.0 110.961 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.481 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 6.8 m-85 -137.54 166.94 22.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.76 -63.8 1.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.553 ' H ' ' HB3' ' A' ' 52' ' ' ALA . 0.2 OUTLIER -152.63 -174.67 4.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.446 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . . . -61.0 -26.22 67.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -77.56 -14.49 59.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.561 1.163 . . . . 0.0 109.327 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.553 ' HB3' ' H ' ' A' ' 49' ' ' ASP . . . -97.42 -24.94 15.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.43 -40.26 73.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.5 t -70.81 -41.61 71.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.976 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.81 -3.79 33.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 57.97 44.77 94.38 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.548 1.155 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 78.4 t -104.41 105.58 50.36 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.476 0.75 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 128.83 11.78 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.486 1.782 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.409 ' C ' ' N ' ' A' ' 61' ' ' GLY . 5.3 t80 -49.18 117.27 2.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.954 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 11.1 m170 48.81 23.32 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.577 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.409 ' N ' ' C ' ' A' ' 59' ' ' TYR . . . 69.3 31.37 71.55 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.542 1.152 . . . . 0.0 110.959 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -77.11 115.43 16.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 0.775 . . . . 0.0 110.285 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.412 HG13 ' H ' ' A' ' 63' ' ' VAL . 1.1 m -65.11 164.89 19.11 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 152.68 40.91 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.55 1.816 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.474 ' HB ' ' CD1' ' A' ' 89' ' ' LEU . 27.3 m -97.69 125.11 50.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 38.9 m -70.67 129.96 40.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.031 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.604 HD11 ' CD1' ' A' ' 39' ' ' LEU . 19.9 mt -91.9 31.88 1.19 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.422 ' O ' ' CB ' ' A' ' 69' ' ' ARG . . . -82.39 108.06 15.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.422 ' CB ' ' O ' ' A' ' 68' ' ' ALA . 3.4 mmp_? 78.38 21.76 0.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 110.316 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.479 ' HB3' HG12 ' A' ' 116' ' ' ILE . . . -91.81 176.16 6.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.271 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -149.53 148.08 28.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -133.2 128.8 5.2 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 58.1 m -137.51 161.45 36.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 0.749 . . . . 0.0 110.021 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.801 HG22 ' CE ' ' A' ' 105' ' ' MET . 54.2 t -80.36 154.83 4.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 84' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.483 ' C ' ' CG ' ' A' ' 83' ' ' HIS . 68.8 mttt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.522 ' CG ' ' HA ' ' A' ' 101' ' ' ASP . 0.0 OUTLIER 63.61 55.3 1.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.593 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.543 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 59.5 t -122.67 140.41 46.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.593 ' CZ ' ' HB2' ' A' ' 97' ' ' PHE . 10.6 p90 -129.95 136.37 49.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 110.96 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.475 ' HA ' HD23 ' A' ' 96' ' ' LEU . 33.6 ttmt -86.03 153.57 22.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.095 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.416 HD13 HG11 ' A' ' 112' ' ' VAL . 55.3 tp -138.83 107.54 5.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 109.31 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -108.71 114.32 4.03 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.527 1.142 . . . . 0.0 110.949 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.474 ' CD1' ' HB ' ' A' ' 65' ' ' VAL . 5.4 mt -74.89 177.23 6.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 0.776 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -81.87 -17.21 48.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.307 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -85.24 8.73 17.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 79.24 21.24 67.87 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.533 1.145 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.41 119.03 29.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.571 0.806 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -110.81 126.05 54.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 110.298 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -124.41 159.19 30.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.475 HD23 ' HA ' ' A' ' 86' ' ' LYS . 13.4 mt -131.41 116.19 17.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.602 ' HB3' HD23 ' A' ' 14' ' ' LEU . 91.4 m-85 -117.98 127.53 53.91 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.456 ' HG3' HG22 ' A' ' 84' ' ' VAL . 12.2 tt0 -98.35 117.18 32.19 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.438 1.086 . . . . 0.0 110.275 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.564 ' HB1' ' HB3' ' A' ' 104' ' ' GLU . . . -90.82 150.23 21.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.7 pttp -52.3 -41.29 62.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.522 ' HA ' ' CG ' ' A' ' 83' ' ' HIS . 63.4 m-20 -157.03 169.99 23.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -50.58 -34.86 27.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.38 -63.06 1.35 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.564 ' HB3' ' HB1' ' A' ' 99' ' ' ALA . 0.5 OUTLIER -46.04 -54.96 7.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 110.323 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.801 ' CE ' HG22 ' A' ' 74' ' ' VAL . 13.6 tmm? -58.61 -63.89 1.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.459 ' C ' ' O ' ' A' ' 105' ' ' MET . 7.9 t -34.92 -42.85 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.971 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.833 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.3 OUTLIER -66.02 -51.48 57.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.041 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.578 ' CH2' ' HG2' ' A' ' 10' ' ' MET . 34.7 m95 -47.98 -63.16 1.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.556 HD21 ' CG ' ' A' ' 85' ' ' PHE . 0.5 OUTLIER -43.51 -50.26 7.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 45.5 ttt180 -56.8 -36.58 70.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.337 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.93 HG12 HD22 ' A' ' 39' ' ' LEU . 19.9 t -78.52 -59.11 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.471 ' N ' ' O ' ' A' ' 108' ' ' TRP . 83.8 t -46.65 -36.94 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -72.52 -36.6 68.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 111' ' ' VAL . . . -71.43 -18.9 62.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.567 ' HB1' ' HA2' ' A' ' 42' ' ' GLY . . . -88.61 -44.03 10.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.459 1.099 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.479 HG12 ' HB3' ' A' ' 70' ' ' ALA . 45.2 mt -54.84 -56.92 8.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -53.88 -42.53 68.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.029 179.951 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.822 ' HA ' HD23 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -101.25 158.68 15.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 110.29 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.788 ' HB2' HG11 ' A' ' 111' ' ' VAL . 7.2 ttt -155.89 132.08 10.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.479 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 8.0 pt-20 -144.23 125.03 14.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -168.29 157.99 30.49 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.523 1.14 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.68 ' O ' HD12 ' A' ' 14' ' ' LEU . 1.9 mmt -58.85 124.53 20.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 0.78 . . . . 0.0 110.986 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.867 HD23 ' HB3' ' A' ' 97' ' ' PHE . 1.3 mp -143.84 156.85 44.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.403 ' O ' ' O ' ' A' ' 96' ' ' LEU . 0.3 OUTLIER -98.11 96.3 8.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 108.257 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.545 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 10.2 ttp180 -88.62 119.49 29.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.281 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -124.08 97.78 5.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.464 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 20.6 tt0 -64.41 112.36 3.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 110.331 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.467 ' OE2' ' N ' ' A' ' 96' ' ' LEU . 1.9 mp0 -93.25 -46.61 7.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 110.35 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.5 ' CE ' ' O ' ' A' ' 25' ' ' LYS . 91.0 mmm -127.04 154.23 44.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.493 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 5.3 tt0 -110.68 -12.72 14.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.329 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.493 ' HB2' ' O ' ' A' ' 21' ' ' GLU . . . 175.88 174.72 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.316 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -48.55 115.31 1.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 61.6 12.25 32.82 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.506 1.129 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.5 ' O ' ' CE ' ' A' ' 20' ' ' MET . 0.0 OUTLIER -96.77 127.71 43.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 0.787 . . . . 0.0 109.248 -179.94 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.4 ptpt -93.86 138.63 31.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.242 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.464 ' CB ' ' HG2' ' A' ' 18' ' ' GLN . . . -78.6 133.49 37.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.44 -69.06 0.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -106.93 121.94 45.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 28.9 mtm180 -115.87 62.57 0.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.329 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.86 158.22 24.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 0.0 109.974 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 85.1 m95 -79.67 132.32 36.19 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.43 ' O ' HG23 ' A' ' 35' ' ' VAL . 52.8 mt-30 -147.16 134.63 20.84 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.52 103.76 1.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.348 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.482 ' CG1' ' HB3' ' A' ' 46' ' ' PHE . 33.2 t -124.46 125.14 69.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.107 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.595 ' CE1' ' HB2' ' A' ' 50' ' ' ALA . 54.8 t80 -71.82 111.6 7.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.882 ' SG ' HD11 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -77.22 127.17 32.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 108.305 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 52.2 t -123.34 105.43 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.242 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.946 HD22 HG12 ' A' ' 111' ' ' VAL . 0.9 OUTLIER -99.5 144.6 28.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.472 ' O ' ' N ' ' A' ' 42' ' ' GLY . 3.4 tpt180 -144.61 -145.77 0.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 110.323 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.421 ' NH1' ' HB3' ' A' ' 41' ' ' ARG . 5.4 mmm180 -66.0 66.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.357 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.583 ' HA2' ' HB1' ' A' ' 115' ' ' ALA . . . 71.45 50.88 19.0 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.54 1.15 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 79.4 p -160.1 127.09 4.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 0.792 . . . . 0.0 109.945 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.882 HD11 ' SG ' ' A' ' 37' ' ' CYS . 19.6 tp -110.86 105.31 14.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -98.27 145.14 17.64 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.472 1.108 . . . . 0.0 111.038 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.519 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 64.9 m-85 -106.1 137.71 43.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.763 . . . . 0.0 111.035 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.519 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 16.7 m-85 -143.17 167.9 21.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.932 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.5 ttpt -61.09 -55.79 28.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.481 ' H ' ' HB3' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -154.97 -175.31 5.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.595 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . . . -67.83 -17.71 64.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.0 mmtp -84.01 -22.28 31.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.481 ' HB3' ' H ' ' A' ' 49' ' ' ASP . . . -90.63 -26.42 19.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.456 ' HA ' ' CD2' ' A' ' 47' ' ' TYR . . . -73.26 -42.15 62.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.13 -39.38 89.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.981 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.53 -4.31 45.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.328 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 65.82 29.44 75.07 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.553 1.158 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 46.8 t -96.5 116.57 66.2 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.497 0.763 . . . . 0.0 109.292 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 140.96 26.08 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.484 1.781 . . . . 0.0 111.016 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -43.06 -64.58 0.61 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.999 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -129.18 5.43 5.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.593 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 97.69 7.79 56.39 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.49 1.119 . . . . 0.0 110.984 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.44 ' O ' ' O ' ' A' ' 63' ' ' VAL . 54.6 mt-10 -70.36 100.61 1.77 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 0.754 . . . . 0.0 110.319 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.44 ' O ' ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -42.94 166.99 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 163.27 35.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.527 1.804 . . . . 0.0 110.955 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.421 HG22 ' O ' ' A' ' 44' ' ' LEU . 19.4 m -107.46 122.87 62.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.351 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 13.6 t -58.79 136.78 57.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.992 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.719 HD11 HD12 ' A' ' 39' ' ' LEU . 90.2 mt -104.3 50.43 0.79 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.613 ' O ' HG23 ' A' ' 116' ' ' ILE . . . -57.82 -114.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.0 mmt180 -84.72 14.83 4.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.316 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.503 ' O ' HG21 ' A' ' 116' ' ' ILE . . . -43.64 165.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.682 ' O ' HD12 ' A' ' 87' ' ' LEU . 6.3 pt20 -123.21 146.69 47.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.279 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.491 ' C ' ' CD1' ' A' ' 109' ' ' LEU . . . -133.7 108.82 0.76 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.544 1.153 . . . . 0.0 110.981 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.5 t -132.4 160.21 37.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 0.755 . . . . 0.0 110.036 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.686 HG22 ' CE ' ' A' ' 105' ' ' MET . 49.9 t -74.33 154.19 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.431 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 26.2 mttt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.41 ' HA ' ' SD ' ' A' ' 105' ' ' MET . 0.0 OUTLIER 52.4 68.4 0.83 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 109.586 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.479 HG22 ' HA ' ' A' ' 98' ' ' GLN . 82.0 t -138.5 137.86 43.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.621 ' CG ' HD21 ' A' ' 109' ' ' LEU . 3.6 p90 -128.99 149.0 51.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.467 ' HE3' HD21 ' A' ' 96' ' ' LEU . 0.2 OUTLIER -98.9 125.62 44.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.682 HD12 ' O ' ' A' ' 71' ' ' GLN . 36.2 tp -107.68 112.12 24.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -110.1 115.71 4.21 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.467 1.104 . . . . 0.0 111.021 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.41 HD11 ' HB ' ' A' ' 65' ' ' VAL . 6.7 mt -73.5 -173.0 1.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 0.751 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -93.71 -1.24 55.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.266 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -108.06 22.34 16.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.088 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 67.37 28.13 73.61 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.546 1.154 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.74 105.45 16.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 0.78 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -100.43 143.57 30.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.443 ' HB3' ' CE2' ' A' ' 97' ' ' PHE . 65.4 m-85 -136.21 158.24 44.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 111.023 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.467 ' N ' ' OE2' ' A' ' 19' ' ' GLU . 27.2 mt -126.72 120.56 29.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.867 ' HB3' HD23 ' A' ' 14' ' ' LEU . 94.4 m-85 -124.86 137.07 54.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.479 ' HA ' HG22 ' A' ' 84' ' ' VAL . 10.3 tt0 -112.16 114.1 26.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.269 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.594 ' HA ' HD11 ' A' ' 14' ' ' LEU . . . -81.27 169.78 16.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.0 pttt -64.76 -34.17 77.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.403 ' HA ' ' CG ' ' A' ' 83' ' ' HIS . 39.5 m-20 -165.99 -179.44 5.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -52.63 -35.61 54.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 110.26 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.21 -70.62 0.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.099 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.53 ' HB3' ' HB1' ' A' ' 99' ' ' ALA . 0.4 OUTLIER -46.4 -44.63 17.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.686 ' CE ' HG22 ' A' ' 74' ' ' VAL . 14.2 ttp -63.26 -68.53 0.33 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 111.02 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 37.0 t -41.72 -44.68 3.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.001 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.844 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.3 OUTLIER -57.12 -55.22 37.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 1.17 . . . . 0.0 109.995 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.524 ' CZ3' ' HG2' ' A' ' 10' ' ' MET . 37.4 m95 -41.28 -65.62 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 108.024 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.621 HD21 ' CG ' ' A' ' 85' ' ' PHE . 1.0 OUTLIER -41.58 -56.99 2.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 42.3 ttt-85 -50.48 -36.45 33.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.426 1.079 . . . . 0.0 110.28 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.946 HG12 HD22 ' A' ' 39' ' ' LEU . 7.3 t -78.35 -59.85 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.574 HG11 HD13 ' A' ' 87' ' ' LEU . 69.5 t -46.76 -43.14 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -67.04 -37.07 83.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 111' ' ' VAL . . . -66.04 -18.83 65.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.583 ' HB1' ' HA2' ' A' ' 42' ' ' GLY . . . -91.04 -38.39 12.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.613 HG23 ' O ' ' A' ' 68' ' ' ALA . 17.5 mt -69.11 -36.63 74.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.04 -47.91 64.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 109.978 179.979 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -98.06 151.69 20.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.291 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.587 ' CB ' HG11 ' A' ' 111' ' ' VAL . 7.6 ttt -154.54 127.37 8.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.951 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.448 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 6.9 pt-20 -143.25 124.96 14.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.16 161.32 34.92 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.481 1.113 . . . . 0.0 111.033 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.727 ' O ' HD12 ' A' ' 14' ' ' LEU . 1.8 mmt -59.44 125.66 24.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 0.789 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.9 HD23 ' HB3' ' A' ' 97' ' ' PHE . 1.4 mp -145.53 154.69 42.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.427 ' O ' ' HA ' ' A' ' 97' ' ' PHE . 0.5 OUTLIER -96.53 95.48 8.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 108.285 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.575 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 8.9 ttp180 -87.95 119.97 28.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.42 ' HD2' ' NE1' ' A' ' 32' ' ' TRP . 0.7 OUTLIER -123.94 108.37 12.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.708 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 45.8 tt0 -70.01 111.52 5.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.332 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -87.97 -46.19 9.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.325 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 85.9 mmm -137.64 141.99 41.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 2.7 tt0 -100.1 -10.67 21.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.301 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.409 ' HB2' ' O ' ' A' ' 21' ' ' GLU . . . -179.91 174.46 0.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -52.98 119.74 5.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 59.84 15.38 34.45 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.5 ' CE ' ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -109.28 123.99 50.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 0.749 . . . . 0.0 109.286 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.5 ' O ' ' CE ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -87.13 149.14 24.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.708 ' HB2' ' HG2' ' A' ' 18' ' ' GLN . . . -67.5 153.0 44.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 109.345 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -43.16 -80.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -83.01 -53.6 5.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.09 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.585 ' HG3' ' HB3' ' A' ' 27' ' ' ALA . 0.0 OUTLIER 72.19 47.89 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.312 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.1 p -120.59 166.35 13.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.038 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.42 ' NE1' ' HD2' ' A' ' 17' ' ' LYS . 82.0 m95 -82.67 128.42 34.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 108.04 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.466 ' O ' HG23 ' A' ' 35' ' ' VAL . 48.0 mt-30 -142.83 133.46 25.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -66.85 103.59 1.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 109.311 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.495 HG11 ' HB3' ' A' ' 46' ' ' PHE . 38.4 t -125.74 127.31 71.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.475 ' CE2' HG22 ' A' ' 38' ' ' VAL . 59.5 t80 -74.8 114.31 13.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 110.988 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.702 ' SG ' HD11 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -78.36 132.98 37.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 108.29 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.475 HG22 ' CE2' ' A' ' 36' ' ' TYR . 87.1 t -132.43 105.59 9.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 1.064 HD22 HG12 ' A' ' 111' ' ' VAL . 0.8 OUTLIER -96.21 135.53 37.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -169.08 139.34 2.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.257 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 51.25 28.81 4.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.322 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.653 ' HA2' ' HB1' ' A' ' 115' ' ' ALA . . . 70.82 45.23 53.35 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 95.4 p -146.7 123.21 11.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 0.781 . . . . 0.0 109.978 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.702 HD11 ' SG ' ' A' ' 37' ' ' CYS . 32.2 tp -89.87 111.38 22.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.67 154.02 19.27 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.512 1.133 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.495 ' HB3' HG11 ' A' ' 35' ' ' VAL . 31.4 m-85 -116.06 133.9 55.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.772 . . . . 0.0 111.018 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.478 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 34.3 m-85 -144.66 161.56 38.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.965 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.474 ' O ' ' HE1' ' A' ' 13' ' ' MET . 0.6 OUTLIER -52.62 -67.67 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.485 ' HA ' ' HE3' ' A' ' 13' ' ' MET . 2.2 m-20 -152.23 -175.78 5.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.2 -13.84 31.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -79.98 -30.96 39.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.153 . . . . 0.0 109.278 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . -84.58 -54.65 4.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -41.26 -48.68 3.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.12 -43.33 99.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 110.023 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 52' ' ' ALA . . . -76.66 -1.42 27.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.156 . . . . 0.0 109.26 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 52' ' ' ALA . . . 58.45 36.04 82.47 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.486 1.116 . . . . 0.0 110.95 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 91.8 t -103.23 122.3 45.75 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.51 0.771 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 133.41 16.59 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.495 1.787 . . . . 0.0 110.979 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -47.67 -65.17 0.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 111.026 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -120.1 40.36 3.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 109.587 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 54.87 22.11 25.74 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.46 1.1 . . . . 0.0 110.981 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -87.13 136.18 33.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 0.76 . . . . 0.0 110.344 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -79.88 171.74 11.64 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 144.9 30.75 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 0.0 111.028 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.444 ' HB ' HD11 ' A' ' 89' ' ' LEU . 16.6 m -90.13 126.74 42.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.4 m -69.66 124.75 24.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.022 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.594 HD11 HD12 ' A' ' 39' ' ' LEU . 6.2 mt -88.89 43.01 1.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.433 ' HB1' ' HD2' ' A' ' 69' ' ' ARG . . . -88.27 122.31 31.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.433 ' HD2' ' HB1' ' A' ' 68' ' ' ALA . 0.3 OUTLIER 59.43 22.34 10.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -84.66 170.66 13.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.577 1.173 . . . . 0.0 109.341 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.47 ' O ' HD12 ' A' ' 87' ' ' LEU . 2.3 pt20 -130.23 139.44 50.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.344 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -135.41 110.53 0.83 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.471 1.107 . . . . 0.0 111.009 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.2 t -137.92 161.29 37.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 0.778 . . . . 0.0 109.999 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.626 HG22 ' CE ' ' A' ' 105' ' ' MET . 36.0 t -65.01 147.25 12.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 -179.987 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.429 ' C ' ' CG ' ' A' ' 83' ' ' HIS . 31.3 mttt . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.429 ' CG ' ' C ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER 49.96 67.27 0.93 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.414 1.071 . . . . 0.0 109.62 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.466 ' CG2' ' HG3' ' A' ' 98' ' ' GLN . 87.6 t -130.32 128.25 63.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.713 ' CB ' HD21 ' A' ' 109' ' ' LEU . 14.5 p90 -126.76 143.49 51.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.433 ' HA ' HD23 ' A' ' 96' ' ' LEU . 13.2 ttmt -89.78 149.88 22.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.47 HD12 ' O ' ' A' ' 71' ' ' GLN . 46.3 tp -134.04 98.84 4.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -95.46 114.37 4.86 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.444 HD11 ' HB ' ' A' ' 65' ' ' VAL . 3.8 mt -72.75 -168.24 0.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 0.761 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -98.43 -13.17 20.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.267 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -99.54 29.1 4.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 62.09 33.34 85.45 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.463 1.102 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.67 107.92 19.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 0.779 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -104.55 135.01 46.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 110.282 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 -132.58 156.12 47.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 86' ' ' LYS . 55.6 mt -126.39 120.54 30.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.9 ' HB3' HD23 ' A' ' 14' ' ' LEU . 95.9 m-85 -119.38 121.18 38.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 110.975 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.466 ' HG3' ' CG2' ' A' ' 84' ' ' VAL . 31.1 tt0 -95.85 103.83 15.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 110.331 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.523 ' HA ' HD11 ' A' ' 14' ' ' LEU . . . -64.95 179.49 0.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.7 pttt -86.09 -34.18 20.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -155.15 177.06 11.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.259 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -53.66 -49.89 66.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 110.288 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' A' ' 104' ' ' GLU . . . -52.19 -67.72 0.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.473 ' HG2' ' HB1' ' A' ' 99' ' ' ALA . 1.0 OUTLIER -37.19 -51.58 1.02 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.264 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.626 ' CE ' HG22 ' A' ' 74' ' ' VAL . 3.6 tmm? -58.16 -71.79 0.1 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 111.04 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.533 ' N ' ' SD ' ' A' ' 105' ' ' MET . 0.4 OUTLIER -35.24 -49.06 0.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.986 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.866 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.3 OUTLIER -56.59 -53.3 59.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.021 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.579 ' CH2' ' HB3' ' A' ' 37' ' ' CYS . 22.0 m95 -49.08 -49.49 41.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 108.005 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.713 HD21 ' CB ' ' A' ' 85' ' ' PHE . 2.5 mm? -58.39 -48.12 81.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 38.7 ttt180 -60.32 -41.4 93.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.276 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 1.064 HG12 HD22 ' A' ' 39' ' ' LEU . 17.8 t -70.92 -58.22 5.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 108' ' ' TRP . 73.7 t -49.86 -35.54 10.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.435 ' ND2' ' O ' ' A' ' 109' ' ' LEU . 13.0 m-80 -72.12 -38.34 69.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.52 -17.65 64.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.653 ' HB1' ' HA2' ' A' ' 42' ' ' GLY . . . -91.13 -44.45 9.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 46.0 mt -56.51 -58.51 5.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -53.57 -60.31 3.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.1 t . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.986 -179.978 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.433 ' HB2' ' CB ' ' A' ' 114' ' ' ALA . 7.2 mp0 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.507 ' HA ' HD23 ' A' ' 39' ' ' LEU . 4.7 pp0? -99.91 160.42 14.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 110.336 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.711 ' CB ' HG11 ' A' ' 111' ' ' VAL . 7.1 ttt -166.2 129.54 2.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 111.02 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.421 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 5.9 pt-20 -144.35 132.94 22.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -172.21 171.28 44.13 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.463 1.102 . . . . 0.0 110.983 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.677 ' O ' HD12 ' A' ' 14' ' ' LEU . 1.0 OUTLIER -72.87 120.43 18.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 110.998 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.677 HD12 ' O ' ' A' ' 13' ' ' MET . 1.5 mp -140.63 155.47 46.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.455 ' O ' ' HA ' ' A' ' 97' ' ' PHE . 0.3 OUTLIER -95.71 95.47 8.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 108.281 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.568 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 12.0 ttp180 -87.33 119.36 27.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.325 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.1 tttt -122.73 94.97 4.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.474 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 9.7 tt0 -59.21 109.56 0.89 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 110.245 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -90.53 -54.11 4.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.276 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 7.2 mtp -117.55 142.53 47.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -111.18 -15.78 13.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 110.323 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.448 ' HA ' ' O ' ' A' ' 92' ' ' GLY . . . -169.94 164.67 9.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -45.63 121.16 2.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 111.039 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 53.6 19.32 9.27 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.459 1.1 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.432 ' CB ' ' HB3' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -110.71 125.94 54.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 0.737 . . . . 0.0 109.332 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.428 ' O ' ' CE ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -92.84 137.54 32.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.474 ' CB ' ' HG2' ' A' ' 18' ' ' GLN . . . -71.21 140.3 50.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 27' ' ' ALA . . . -40.12 -78.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.0 p-10 -90.38 134.83 34.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.8 mtm180 -128.18 54.24 1.75 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.311 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.6 m -108.24 160.04 16.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.999 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.423 ' CH2' ' HB3' ' A' ' 96' ' ' LEU . 85.7 m95 -83.58 133.13 34.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 107.989 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -146.34 133.41 20.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -65.94 103.71 0.98 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.47 ' CG1' ' HB3' ' A' ' 46' ' ' PHE . 80.2 t -120.93 129.72 75.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.45 ' CD2' ' HB2' ' A' ' 53' ' ' ALA . 6.5 t80 -76.22 109.77 10.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.974 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.61 ' SG ' ' CE1' ' A' ' 97' ' ' PHE . 0.5 OUTLIER -76.92 132.94 39.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 108.339 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 70.0 t -133.84 105.63 7.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.966 HD22 HG12 ' A' ' 111' ' ' VAL . 0.7 OUTLIER -98.01 137.71 36.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -170.19 146.2 2.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.294 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.431 ' HB2' ' NH1' ' A' ' 41' ' ' ARG . 0.6 OUTLIER 42.9 30.53 0.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 110.313 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.629 ' HA2' ' HB1' ' A' ' 115' ' ' ALA . . . 69.27 54.78 11.97 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.517 1.135 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -157.52 124.17 4.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 0.74 . . . . 0.0 109.989 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.547 HD11 ' SG ' ' A' ' 37' ' ' CYS . 27.2 tp -91.39 121.5 33.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -109.59 155.68 15.97 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.548 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 37.7 m-85 -122.41 136.99 55.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 0.762 . . . . 0.0 111.013 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.548 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 17.0 m-85 -146.36 152.73 39.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -40.59 -58.45 1.6 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.463 ' HA ' ' HE3' ' A' ' 13' ' ' MET . 2.4 m-20 -162.05 -173.45 3.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.409 ' HA ' ' CE2' ' A' ' 36' ' ' TYR . . . -63.85 -13.03 41.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.16 -19.14 30.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.417 ' HB1' ' HB ' ' A' ' 57' ' ' VAL . . . -97.37 -17.62 19.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.45 ' HB2' ' CD2' ' A' ' 36' ' ' TYR . . . -74.23 -38.38 63.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.57 -40.41 76.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 110.014 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -81.63 -7.7 59.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 62.7 49.57 71.91 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.457 1.098 . . . . 0.0 111.012 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.417 ' HB ' ' HB1' ' A' ' 52' ' ' ALA . 96.5 t -103.47 106.42 51.76 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.761 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 128.68 11.68 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.513 1.796 . . . . 0.0 111.001 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -47.9 115.48 1.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.978 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 12.0 m170 50.63 22.13 1.03 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.608 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.67 33.9 50.57 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -85.71 127.42 34.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 0.775 . . . . 0.0 110.268 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -81.85 170.92 13.35 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.427 1.08 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.438 ' HA ' ' O ' ' A' ' 44' ' ' LEU . 18.4 Cg_endo -74.98 147.16 33.63 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.459 1.768 . . . . 0.0 111.027 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 19.6 m -90.04 125.63 42.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.3 p -69.21 127.04 31.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.006 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.589 HD11 HD12 ' A' ' 39' ' ' LEU . 12.9 mt -89.56 41.97 1.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -84.76 111.32 19.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.9 mtm180 70.28 18.44 6.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.317 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.428 ' CB ' ' HA ' ' A' ' 89' ' ' LEU . . . -83.06 172.32 12.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -150.07 133.79 16.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -112.51 116.79 4.15 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.486 1.116 . . . . 0.0 111.021 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.2 t -123.2 159.71 28.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 0.776 . . . . 0.0 110.011 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.75 HG22 ' HE3' ' A' ' 105' ' ' MET . 82.8 t -87.33 154.15 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 -179.959 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 34.8 mttt . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.425 ' HA ' ' SD ' ' A' ' 105' ' ' MET . 0.0 OUTLIER 53.1 64.77 1.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.572 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.673 HG22 ' HG3' ' A' ' 98' ' ' GLN . 62.6 t -128.82 136.55 59.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.653 ' CG ' HD21 ' A' ' 109' ' ' LEU . 19.1 p90 -127.04 139.97 52.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.567 ' HA ' HD23 ' A' ' 96' ' ' LEU . 26.5 ttmt -91.9 118.48 30.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.105 . . . . 0.0 109.246 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.56 HD13 HG11 ' A' ' 112' ' ' VAL . 35.3 tp -94.73 98.6 10.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.276 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -97.8 113.62 4.77 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.567 1.167 . . . . 0.0 111.003 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.458 HD12 ' HB3' ' A' ' 93' ' ' LYS . 16.7 mt -68.45 -130.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 0.766 . . . . 0.0 109.268 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.586 ' O ' ' CB ' ' A' ' 91' ' ' ASP . 2.7 pt20 -86.61 23.89 1.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.324 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.586 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 5.6 t0 88.71 -19.79 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.448 ' O ' ' HA ' ' A' ' 22' ' ' ALA . . . -89.16 9.93 74.99 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.509 1.131 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.458 ' HB3' HD12 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -166.33 130.69 2.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 0.767 . . . . 0.0 109.279 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -142.24 119.72 11.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.317 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -115.94 165.52 13.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.567 HD23 ' HA ' ' A' ' 86' ' ' LYS . 13.0 mt -129.49 108.41 10.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.633 ' HB2' ' CZ ' ' A' ' 85' ' ' PHE . 98.5 m-85 -107.51 138.91 42.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.673 ' HG3' HG22 ' A' ' 84' ' ' VAL . 35.7 tt0 -113.48 99.98 8.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 110.294 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.634 ' HA ' HD11 ' A' ' 14' ' ' LEU . . . -58.56 175.63 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.39 -23.47 30.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -170.1 -176.56 2.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -56.62 -39.09 73.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.296 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.84 -71.49 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -40.93 -43.35 2.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 110.293 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.75 ' HE3' HG22 ' A' ' 74' ' ' VAL . 8.9 ttp -63.13 -68.95 0.3 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.7 t -45.3 -50.95 11.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.986 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.742 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.3 OUTLIER -49.59 -59.07 4.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 110.04 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.579 ' CH2' ' HB3' ' A' ' 37' ' ' CYS . 24.0 m95 -42.95 -64.36 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 107.996 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.653 HD21 ' CG ' ' A' ' 85' ' ' PHE . 1.0 OUTLIER -44.18 -50.56 8.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.416 ' HB3' ' O ' ' A' ' 107' ' ' SER . 19.0 ttp85 -57.27 -34.96 69.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 110.296 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.966 HG12 HD22 ' A' ' 39' ' ' LEU . 23.1 t -78.84 -59.67 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.56 HG11 HD13 ' A' ' 87' ' ' LEU . 92.4 t -46.6 -38.71 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -71.33 -37.13 71.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 111' ' ' VAL . . . -68.15 -17.35 64.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.629 ' HB1' ' HA2' ' A' ' 42' ' ' GLY . . . -92.16 -45.9 8.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 29.0 mt -55.95 -62.26 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -49.19 -63.15 1.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.14 . . . . 0.0 109.23 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 6.3 t . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.996 -179.933 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.59 ' HA ' HD23 ' A' ' 39' ' ' LEU . 7.6 mp0 -98.41 144.89 27.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.256 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.9 ' HB2' HG11 ' A' ' 111' ' ' VAL . 7.1 ttt -143.35 128.07 18.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.478 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 8.2 pt-20 -142.07 124.41 15.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 110.264 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.44 159.72 32.68 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.539 1.149 . . . . 0.0 111.005 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.734 ' O ' HD12 ' A' ' 14' ' ' LEU . 1.8 mmt -58.49 124.44 19.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 0.795 . . . . 0.0 111.033 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.897 HD23 ' HB3' ' A' ' 97' ' ' PHE . 1.5 mp -145.64 154.77 42.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.438 ' O ' ' HA ' ' A' ' 97' ' ' PHE . 0.5 OUTLIER -97.35 97.14 8.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 108.328 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.562 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 15.6 ttp180 -87.44 120.1 28.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 110.265 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.516 ' HD2' ' CE2' ' A' ' 32' ' ' TRP . 6.0 tttt -124.86 97.92 5.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.8 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 14.2 tt0 -59.06 109.28 0.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.269 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -85.94 -48.36 8.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.462 ' HE3' ' O ' ' A' ' 25' ' ' LYS . 72.6 mmm -130.49 148.84 52.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.47 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 7.1 tt0 -106.49 -11.62 15.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.316 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.47 ' HB2' ' O ' ' A' ' 21' ' ' GLU . . . 176.98 158.89 0.35 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -39.9 109.02 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 110.941 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.01 -39.21 3.1 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.514 1.134 . . . . 0.0 111.034 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.462 ' O ' ' HE3' ' A' ' 20' ' ' MET . 0.0 OUTLIER -68.04 126.34 29.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 0.73 . . . . 0.0 109.327 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.411 ' N ' ' HE3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -105.6 139.6 39.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.8 ' HB2' ' HG2' ' A' ' 18' ' ' GLN . . . -56.38 135.83 53.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.085 . . . . 0.0 109.251 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.99 -67.45 0.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.107 . . . . 0.0 109.319 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -54.33 -66.77 0.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.346 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.4 ' HA ' ' O ' ' A' ' 18' ' ' GLN . 2.8 ttt180 52.12 50.46 18.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 110.29 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 66.0 m -119.7 167.12 12.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.979 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.516 ' CE2' ' HD2' ' A' ' 17' ' ' LYS . 86.6 m95 -88.74 127.53 35.6 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.447 ' O ' HG23 ' A' ' 35' ' ' VAL . 30.5 mt-30 -146.95 135.63 22.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -68.78 103.74 1.85 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.492 ' CG1' ' HB3' ' A' ' 46' ' ' PHE . 23.5 t -125.06 124.01 66.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.68 ' CE1' ' HB2' ' A' ' 50' ' ' ALA . 57.3 t80 -72.68 111.76 8.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.814 ' SG ' HD11 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -76.82 131.44 38.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 108.327 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.449 HG23 ' CD2' ' A' ' 36' ' ' TYR . 19.0 t -128.88 105.01 12.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 1.082 HD22 HG12 ' A' ' 111' ' ' VAL . 0.7 OUTLIER -101.32 144.07 30.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 0.0 109.276 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.454 ' HA ' ' CG ' ' A' ' 9' ' ' GLN . 1.5 tpt180 -137.83 -149.04 0.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.315 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 65.7 mtt85 -65.86 71.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 110.306 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 40' ' ' ARG . . . 74.8 55.38 5.4 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.45 ' O ' ' HA ' ' A' ' 39' ' ' LEU . 55.6 p -160.45 165.96 30.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 0.786 . . . . 0.0 110.012 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.814 HD11 ' SG ' ' A' ' 37' ' ' CYS . 46.9 tp -150.42 99.7 2.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -98.21 150.95 19.53 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.483 1.114 . . . . 0.0 111.048 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.59 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 64.2 m-85 -109.22 143.11 39.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 0.786 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.59 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 28.1 m-85 -149.89 156.07 41.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.991 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.5 ttpt -48.64 -63.99 0.93 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.482 ' H ' ' HB3' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -147.18 -176.46 5.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.324 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.68 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . . . -65.44 -18.52 65.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.3 mmmt -83.93 -17.75 39.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.425 1.078 . . . . 0.0 109.307 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.482 ' HB3' ' H ' ' A' ' 49' ' ' ASP . . . -96.55 -15.0 21.86 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.423 1.077 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -85.55 -46.21 11.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.18 -38.82 90.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.996 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.12 -19.37 58.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.123 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 79.31 35.81 28.79 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.438 1.086 . . . . 0.0 111.016 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.403 ' N ' ' O ' ' A' ' 52' ' ' ALA . 39.8 t -103.44 119.37 55.16 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.472 0.748 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 134.93 18.39 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.484 1.781 . . . . 0.0 110.937 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -47.22 -65.49 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 111.011 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -122.5 45.19 2.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.589 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 53.68 19.2 9.25 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.47 1.107 . . . . 0.0 110.964 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -75.25 159.84 31.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 0.735 . . . . 0.0 110.265 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -104.73 168.6 8.24 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 152.91 41.47 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.518 1.799 . . . . 0.0 110.965 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.441 ' HB ' ' CD1' ' A' ' 89' ' ' LEU . 27.2 m -101.19 124.42 54.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.67 127.28 32.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 110.01 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.673 HD11 HD12 ' A' ' 39' ' ' LEU . 12.8 mt -88.04 43.38 1.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -84.43 115.39 22.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 63.58 21.32 12.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -84.61 172.11 11.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -145.19 137.6 25.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -123.64 122.32 4.84 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.466 1.104 . . . . 0.0 110.96 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.83 158.3 44.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 0.783 . . . . 0.0 110.022 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.686 HG22 ' CE ' ' A' ' 105' ' ' MET . 45.2 t -73.74 155.07 6.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' A' ' 84' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.541 ' O ' ' CG ' ' A' ' 83' ' ' HIS . 6.8 mtpt . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.584 ' CE1' ' NE2' ' A' ' 98' ' ' GLN . 15.7 p80 49.51 61.91 2.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.575 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.773 HG22 ' HG3' ' A' ' 98' ' ' GLN . 60.0 t -131.25 117.77 37.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.602 ' CZ ' ' HB2' ' A' ' 97' ' ' PHE . 11.4 p90 -125.37 139.41 53.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.562 1.164 . . . . 0.0 111.005 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.2 ttmt -88.35 143.78 26.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.102 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.574 HD13 HG11 ' A' ' 112' ' ' VAL . 56.5 tp -126.11 99.44 5.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -95.52 114.56 4.91 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.498 1.124 . . . . 0.0 111.016 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.441 ' CD1' ' HB ' ' A' ' 65' ' ' VAL . 5.2 mt -74.41 -175.99 2.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 0.792 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -88.5 -9.84 51.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 110.322 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -101.99 26.33 7.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 63.09 31.09 79.54 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.531 1.144 . . . . 0.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.85 108.7 20.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 0.756 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -102.6 140.96 36.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.16 . . . . 0.0 110.283 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.507 ' HB3' ' CE2' ' A' ' 97' ' ' PHE . 56.1 m-85 -136.52 149.89 48.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.464 1.102 . . . . 0.0 111.036 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.408 ' O ' ' O ' ' A' ' 15' ' ' CYS . 59.6 mt -121.12 111.98 18.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.342 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.897 ' HB3' HD23 ' A' ' 14' ' ' LEU . 95.8 m-85 -113.14 140.77 47.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.773 ' HG3' HG22 ' A' ' 84' ' ' VAL . 2.6 tt0 -115.46 114.07 24.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.298 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.651 ' HA ' HD11 ' A' ' 14' ' ' LEU . . . -76.67 -132.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -124.08 -41.68 2.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -150.08 -173.93 4.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -67.02 -9.05 34.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 110.337 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 104' ' ' GLU . . . -89.19 -71.66 0.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.554 ' HB3' ' HB1' ' A' ' 99' ' ' ALA . 2.0 tp10 -37.69 -44.27 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 110.307 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.686 ' CE ' HG22 ' A' ' 74' ' ' VAL . 5.2 ttp -68.15 -61.64 1.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 111.011 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.17 -39.44 0.92 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 110.005 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.799 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.3 OUTLIER -66.86 -50.81 61.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 110.008 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.574 ' CD1' ' HE1' ' A' ' 10' ' ' MET . 19.3 m95 -44.04 -62.15 1.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.574 HD21 ' CG ' ' A' ' 85' ' ' PHE . 0.4 OUTLIER -45.62 -51.59 11.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 24.7 ttp85 -55.55 -32.6 63.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 1.082 HG12 HD22 ' A' ' 39' ' ' LEU . 20.3 t -80.94 -55.69 7.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.574 HG11 HD13 ' A' ' 87' ' ' LEU . 90.7 t -50.75 -39.36 18.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -71.86 -37.27 70.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -71.71 -16.01 62.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.715 ' HB2' HD21 ' A' ' 39' ' ' LEU . . . -91.4 -42.58 10.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 32.7 mt -55.65 -59.31 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.295 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 118' ' ' SER . . . -50.65 -58.65 5.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 117' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.985 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.4 ' HA ' HD23 ' A' ' 39' ' ' LEU . 44.5 mt-30 -105.62 147.11 28.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.16 . . . . 0.0 110.265 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.711 ' HB2' HG11 ' A' ' 111' ' ' VAL . 7.1 ttt -146.48 131.46 18.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 111.048 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.435 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 7.0 pt-20 -144.82 131.44 19.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.301 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -172.51 163.29 35.3 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.418 1.074 . . . . 0.0 111.041 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.662 ' O ' HD12 ' A' ' 14' ' ' LEU . 1.0 OUTLIER -66.46 116.55 7.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 0.789 . . . . 0.0 110.955 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.662 HD12 ' O ' ' A' ' 13' ' ' MET . 2.0 mp -134.97 152.41 51.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -91.53 96.47 10.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 108.273 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.575 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 16.7 ttp180 -88.11 119.48 28.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.334 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.439 ' O ' ' OE2' ' A' ' 19' ' ' GLU . 2.3 tttt -124.34 97.3 5.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.456 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 21.5 tt0 -61.59 123.58 18.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.477 ' OE2' ' N ' ' A' ' 96' ' ' LEU . 1.1 mp0 -106.6 -51.98 2.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.403 ' SD ' ' OE1' ' A' ' 94' ' ' GLU . 11.9 mtp -120.9 154.88 35.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.483 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 11.4 tt0 -113.43 -11.62 13.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.148 . . . . 0.0 110.294 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.483 ' HB2' ' O ' ' A' ' 21' ' ' GLU . . . 176.09 173.52 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -47.88 114.5 0.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 60.82 18.41 53.22 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.409 ' CG ' ' HB3' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -101.8 118.31 36.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 0.742 . . . . 0.0 109.339 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.5 pttm -85.9 124.39 32.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.266 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.456 ' CB ' ' HG2' ' A' ' 18' ' ' GLN . . . -67.8 145.2 54.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.22 -77.78 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.0 p-10 -94.77 126.98 40.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.3 mtm180 -130.72 61.72 1.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.66 158.3 18.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 110.018 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 86.4 m95 -80.47 126.93 31.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 108.006 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.415 ' O ' HG23 ' A' ' 35' ' ' VAL . 43.0 mt-30 -146.95 140.37 25.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.304 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.1 p-10 -70.39 103.96 2.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.456 ' CG1' ' HB3' ' A' ' 46' ' ' PHE . 26.0 t -120.7 126.14 74.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.123 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.442 ' HD2' ' HB2' ' A' ' 53' ' ' ALA . 10.0 t80 -72.65 106.45 4.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 111.031 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.62 ' SG ' ' CE1' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -77.66 128.42 34.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 108.285 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 64.3 t -125.75 104.93 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.87 ' CD2' HG12 ' A' ' 111' ' ' VAL . 0.6 OUTLIER -100.98 139.63 36.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.271 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 42' ' ' GLY . 2.3 tpt180 -134.97 -148.44 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 110.271 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.99 71.5 0.06 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 40' ' ' ARG . . . 74.19 56.07 5.4 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.483 1.114 . . . . 0.0 110.966 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.436 ' O ' ' HA ' ' A' ' 39' ' ' LEU . 59.3 p -160.31 166.54 29.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 0.768 . . . . 0.0 110.004 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.606 HD11 ' SG ' ' A' ' 37' ' ' CYS . 40.9 tp -150.23 98.82 2.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -97.92 146.03 18.04 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.522 1.139 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.589 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 65.4 m-85 -108.83 141.21 41.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 0.79 . . . . 0.0 110.952 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.589 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 21.5 m-85 -149.55 152.77 36.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.976 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.512 ' O ' ' HE1' ' A' ' 13' ' ' MET . 8.0 tptm -44.56 -62.39 1.21 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.483 ' HA ' ' HE3' ' A' ' 13' ' ' MET . 1.4 m-20 -155.98 -175.68 5.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.77 -13.52 34.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.6 mmmt -79.38 -38.69 34.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.12 -55.29 5.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.489 ' HA ' ' CD2' ' A' ' 47' ' ' TYR . . . -48.45 -42.14 31.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.3 t -59.46 -46.79 87.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.036 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -80.66 2.07 27.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 109.343 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 62.75 40.82 99.68 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 81.5 t -106.41 121.12 46.37 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.505 0.768 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 133.11 16.2 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.533 1.807 . . . . 0.0 110.965 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.445 ' CE2' ' CE1' ' A' ' 60' ' ' HIS . 25.7 t80 -47.08 -67.43 0.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.445 ' CE1' ' CE2' ' A' ' 59' ' ' TYR . 0.3 OUTLIER -117.22 47.59 1.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.607 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 48.72 23.72 3.6 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.538 1.148 . . . . 0.0 111.019 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -81.16 159.41 24.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 0.74 . . . . 0.0 110.309 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.406 ' HB ' ' HD2' ' A' ' 64' ' ' PRO . 0.0 OUTLIER -105.13 168.9 7.73 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.406 ' HD2' ' HB ' ' A' ' 63' ' ' VAL . 18.3 Cg_endo -74.98 150.94 38.99 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.466 1.772 . . . . 0.0 111.022 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.435 ' CG2' ' HB3' ' A' ' 44' ' ' LEU . 27.2 m -99.78 124.89 53.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.277 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 58.3 m -73.47 127.39 32.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.969 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.612 HD11 HD12 ' A' ' 39' ' ' LEU . 9.3 mt -88.39 45.44 1.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -85.98 109.09 18.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.5 mtm180 69.87 19.39 7.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.423 ' HB3' HG12 ' A' ' 116' ' ' ILE . . . -81.21 175.71 10.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -149.99 135.0 17.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 110.321 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -119.63 126.8 6.88 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 110.951 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.79 159.78 40.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 0.748 . . . . 0.0 109.997 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.676 HG22 ' CE ' ' A' ' 105' ' ' MET . 37.7 t -79.43 151.38 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' A' ' 84' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.533 ' O ' ' CG ' ' A' ' 83' ' ' HIS . 8.8 mttp . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.607 ' CE1' ' HG2' ' A' ' 98' ' ' GLN . 13.7 p80 49.36 63.8 2.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.607 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.8 HG22 ' HG3' ' A' ' 98' ' ' GLN . 62.8 t -130.57 117.29 38.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.601 ' CZ ' ' HB2' ' A' ' 97' ' ' PHE . 11.8 p90 -124.59 134.21 53.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 111.024 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.405 ' HA ' ' O ' ' A' ' 95' ' ' TYR . 33.5 ttmt -87.28 140.38 29.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.51 HD13 HG11 ' A' ' 112' ' ' VAL . 45.7 tp -122.59 101.06 7.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -99.33 114.21 4.96 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.4 ' CD1' ' HB ' ' A' ' 65' ' ' VAL . 7.4 mt -75.18 171.93 13.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 0.785 . . . . 0.0 109.359 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -75.96 -14.6 60.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 110.281 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.98 16.6 9.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.349 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 69.17 32.88 72.94 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.46 1.1 . . . . 0.0 111.026 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.411 ' NZ ' ' HB2' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -102.66 110.46 22.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 0.754 . . . . 0.0 109.327 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.403 ' OE1' ' SD ' ' A' ' 20' ' ' MET . 0.7 OUTLIER -100.43 136.89 39.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.318 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.408 ' C ' ' OE2' ' A' ' 19' ' ' GLU . 52.3 m-85 -133.84 154.21 51.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 111.016 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.477 ' N ' ' OE2' ' A' ' 19' ' ' GLU . 47.3 mt -125.5 121.26 33.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.252 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.654 ' HB3' HD23 ' A' ' 14' ' ' LEU . 77.7 m-85 -121.2 150.22 41.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.115 . . . . 0.0 110.954 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.8 ' HG3' HG22 ' A' ' 84' ' ' VAL . 1.7 tt0 -127.91 108.88 11.07 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.46 1.1 . . . . 0.0 110.295 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.603 ' HA ' HD11 ' A' ' 14' ' ' LEU . . . -74.47 -132.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.13 -42.53 2.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.332 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -148.59 -175.49 4.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 109.301 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -65.84 -10.14 35.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.145 . . . . 0.0 110.326 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 104' ' ' GLU . . . -87.55 -71.67 0.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.56 ' HB3' ' HB1' ' A' ' 99' ' ' ALA . 6.5 tp10 -38.45 -42.97 0.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.103 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.676 ' CE ' HG22 ' A' ' 74' ' ' VAL . 5.8 ttp -69.58 -61.06 1.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 111.015 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.1 m -40.64 -39.89 1.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 110.007 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.852 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.3 OUTLIER -65.15 -51.51 60.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.023 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.525 ' CE2' ' HG2' ' A' ' 10' ' ' MET . 26.1 m95 -43.73 -64.54 0.64 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 108.003 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.578 HD21 ' CG ' ' A' ' 85' ' ' PHE . 0.5 OUTLIER -44.57 -51.89 8.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.257 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.403 ' HB3' ' O ' ' A' ' 107' ' ' SER . 32.1 ttp180 -54.56 -33.0 59.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.87 HG12 ' CD2' ' A' ' 39' ' ' LEU . 16.1 t -81.17 -57.58 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.51 HG11 HD13 ' A' ' 87' ' ' LEU . 93.7 t -48.54 -40.38 10.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -71.41 -36.11 71.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -73.06 -16.29 61.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.343 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.478 ' HB2' HD21 ' A' ' 39' ' ' LEU . . . -92.01 -44.35 8.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.423 HG12 ' HB3' ' A' ' 70' ' ' ALA . 40.4 mt -53.66 -60.14 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -49.48 -60.54 2.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 109.966 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.698 ' HA ' HD23 ' A' ' 39' ' ' LEU . 5.1 pm0 -104.61 144.74 31.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.639 ' HB2' HG11 ' A' ' 111' ' ' VAL . 9.0 ttt -143.32 134.56 25.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.482 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 1.3 pm0 -144.54 124.37 13.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 110.323 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -168.94 161.24 34.91 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.514 1.134 . . . . 0.0 111.011 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.73 ' O ' HD12 ' A' ' 14' ' ' LEU . 1.9 mmt -58.99 126.18 26.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 0.721 . . . . 0.0 111.039 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.908 HD23 ' HB3' ' A' ' 97' ' ' PHE . 1.4 mp -146.48 154.86 42.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.157 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.436 ' O ' ' HA ' ' A' ' 97' ' ' PHE . 0.5 OUTLIER -96.88 95.69 8.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 108.343 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.565 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 12.2 ttp180 -87.78 123.69 32.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.512 ' HD2' ' CE2' ' A' ' 32' ' ' TRP . 21.5 tttt -124.57 94.95 4.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.705 ' HG2' ' HB1' ' A' ' 27' ' ' ALA . 2.0 tp60 -60.08 122.54 14.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 110.32 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -107.06 -48.86 3.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.239 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.456 ' CE ' ' O ' ' A' ' 25' ' ' LYS . 90.2 mmm -130.53 140.65 50.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 111.054 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.566 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 6.9 tt0 -107.78 -9.57 15.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.566 ' HB2' ' O ' ' A' ' 21' ' ' GLU . . . 172.09 153.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.343 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.549 ' CZ ' ' HB3' ' A' ' 91' ' ' ASP . 84.0 m-85 -39.65 115.45 0.52 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.19 -43.54 3.26 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.551 1.157 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.479 ' CE ' ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -60.11 119.99 8.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 0.797 . . . . 0.0 109.319 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.479 ' O ' ' CE ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -92.5 139.51 30.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.327 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.705 ' HB1' ' HG2' ' A' ' 18' ' ' GLN . . . -64.33 115.09 4.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.62 -67.56 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -92.28 107.56 19.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -107.86 54.8 0.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.32 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.58 163.99 17.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 110.025 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.512 ' CE2' ' HD2' ' A' ' 17' ' ' LYS . 86.9 m95 -85.68 132.99 34.05 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.505 ' O ' HG23 ' A' ' 35' ' ' VAL . 82.1 mm-40 -147.42 134.51 20.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.241 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -66.48 103.79 1.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 33' ' ' GLN . 25.7 t -126.17 123.98 64.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 0.0 109.29 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.419 ' CD2' HG23 ' A' ' 38' ' ' VAL . 53.0 t80 -71.32 114.88 9.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 111.02 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.762 ' SG ' HD11 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -80.3 130.84 35.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 108.326 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.419 HG23 ' CD2' ' A' ' 36' ' ' TYR . 31.8 t -128.27 104.74 12.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.349 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.981 HD22 HG12 ' A' ' 111' ' ' VAL . 0.8 OUTLIER -101.1 144.12 30.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 42' ' ' GLY . 4.0 tpt180 -136.65 -148.04 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.339 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.67 69.09 0.07 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.503 1.127 . . . . 0.0 110.273 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 40' ' ' ARG . . . 77.28 56.2 4.06 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.436 ' O ' ' HA ' ' A' ' 39' ' ' LEU . 54.0 p -160.17 167.01 28.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 0.764 . . . . 0.0 110.011 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.762 HD11 ' SG ' ' A' ' 37' ' ' CYS . 52.3 tp -150.1 99.36 2.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -98.32 151.76 19.66 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.504 1.128 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.616 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 61.4 m-85 -109.93 141.67 42.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.753 . . . . 0.0 110.976 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.616 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 19.7 m-85 -149.37 157.85 43.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.538 ' O ' ' HE3' ' A' ' 13' ' ' MET . 0.1 OUTLIER -50.2 -67.05 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.416 ' HA ' ' HE2' ' A' ' 13' ' ' MET . 1.4 m-20 -151.28 -175.75 5.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.95 -13.88 29.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.279 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.57 -35.82 45.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -81.81 -42.19 20.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.98 -37.02 71.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.3 t -71.43 -37.75 71.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.013 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.526 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -88.86 12.54 14.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 47.48 40.38 16.26 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 55' ' ' ALA . 95.9 t -104.51 120.71 49.62 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.53 0.782 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 134.75 18.32 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.485 1.781 . . . . 0.0 111.012 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -48.17 -66.7 0.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -119.24 46.27 1.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.588 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 48.85 30.41 9.07 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.517 1.136 . . . . 0.0 111.024 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -87.19 162.74 17.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 110.25 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -105.77 168.53 8.13 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.45 1.094 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 149.36 36.87 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.549 1.815 . . . . 0.0 111.053 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.41 HG22 ' O ' ' A' ' 44' ' ' LEU . 34.3 m -97.24 129.35 47.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.73 124.67 27.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.023 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.754 HD11 HD12 ' A' ' 39' ' ' LEU . 11.7 mt -84.14 49.9 1.74 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.418 ' HB1' ' HD2' ' A' ' 69' ' ' ARG . . . -83.89 118.99 24.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.132 . . . . 0.0 109.253 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.418 ' HD2' ' HB1' ' A' ' 68' ' ' ALA . 0.2 OUTLIER 61.81 14.96 6.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.447 ' O ' HD13 ' A' ' 116' ' ' ILE . . . -78.93 167.87 20.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.54 146.69 26.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 0.0 110.335 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.451 ' C ' ' CD1' ' A' ' 109' ' ' LEU . . . -116.47 123.38 5.83 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.9 t -138.0 152.47 48.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.469 0.747 . . . . 0.0 110.037 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.87 HG22 ' HE3' ' A' ' 105' ' ' MET . 58.7 t -73.88 141.52 16.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.34 -179.995 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 19.5 mttp . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.44 ' HA ' ' SD ' ' A' ' 105' ' ' MET . 0.0 OUTLIER 46.06 78.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.597 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.424 HG22 ' CB ' ' A' ' 98' ' ' GLN . 84.0 t -136.0 128.98 46.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.706 ' CG ' HD21 ' A' ' 109' ' ' LEU . 39.9 p90 -121.55 138.97 54.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.994 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.524 ' HA ' HD23 ' A' ' 96' ' ' LEU . 0.1 OUTLIER -86.46 118.13 25.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.508 HD13 HG11 ' A' ' 112' ' ' VAL . 29.2 tp -94.39 98.26 10.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -94.68 114.34 4.8 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.457 1.098 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.693 HD12 ' HD2' ' A' ' 93' ' ' LYS . 5.8 mt -70.79 -119.61 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 0.74 . . . . 0.0 109.283 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.581 ' O ' ' CB ' ' A' ' 91' ' ' ASP . 0.4 OUTLIER -83.82 20.7 1.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.337 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.581 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 25.7 t0 89.03 -25.26 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.466 ' O ' ' CA ' ' A' ' 22' ' ' ALA . . . -88.03 -16.95 58.64 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.693 ' HD2' HD12 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -124.89 120.21 31.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 0.737 . . . . 0.0 109.315 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -127.53 144.39 51.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.462 ' HB3' ' CE2' ' A' ' 97' ' ' PHE . 79.4 m-85 -140.87 162.93 34.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.524 HD23 ' HA ' ' A' ' 86' ' ' LYS . 72.0 mt -132.48 112.01 11.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.908 ' HB3' HD23 ' A' ' 14' ' ' LEU . 92.7 m-85 -115.17 134.59 55.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.976 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.424 ' CB ' HG22 ' A' ' 84' ' ' VAL . 7.9 tt0 -106.12 106.41 16.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 110.344 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.701 ' HA ' HD11 ' A' ' 14' ' ' LEU . . . -70.29 159.77 33.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.42 ' CG ' ' N ' ' A' ' 101' ' ' ASP . 0.0 OUTLIER -58.67 -47.08 85.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.42 ' N ' ' CG ' ' A' ' 100' ' ' LYS . 1.3 m-20 -156.23 -175.91 5.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.343 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -51.81 -31.05 25.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.346 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.33 -71.2 0.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.566 ' HG3' ' CD1' ' A' ' 108' ' ' TRP . 1.6 tt0 -46.99 -43.37 19.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.282 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.87 ' HE3' HG22 ' A' ' 74' ' ' VAL . 5.0 ttp -62.04 -69.65 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.959 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.3 t -43.01 -49.51 6.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.969 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.888 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.3 OUTLIER -58.37 -55.83 29.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.993 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.566 ' CD1' ' HG3' ' A' ' 104' ' ' GLU . 19.5 m95 -43.91 -66.84 0.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 107.983 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.706 HD21 ' CG ' ' A' ' 85' ' ' PHE . 3.9 mm? -43.95 -50.55 8.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.346 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 -57.27 -41.97 80.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 0.0 110.306 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.981 HG12 HD22 ' A' ' 39' ' ' LEU . 17.8 t -71.62 -60.71 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.508 HG11 HD13 ' A' ' 87' ' ' LEU . 77.2 t -43.84 -41.15 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -70.74 -38.4 73.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 111' ' ' VAL . . . -69.59 -20.45 63.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.785 ' HB2' HD21 ' A' ' 39' ' ' LEU . . . -86.67 -47.58 9.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.447 HD13 ' O ' ' A' ' 70' ' ' ALA . 20.3 mt -45.04 -61.82 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 116' ' ' ILE . . . -40.08 -59.35 1.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.988 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.283 -0.265 . . . . 0.0 110.283 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.493 ' HA ' HD23 ' A' ' 39' ' ' LEU . 0.5 OUTLIER -103.59 155.38 18.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.298 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.58 ' CB ' HG11 ' A' ' 111' ' ' VAL . 7.3 ttt -157.09 127.89 6.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.461 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 11.6 pt-20 -143.06 123.25 13.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.305 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.21 160.01 33.55 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.457 1.098 . . . . 0.0 111.048 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.732 ' O ' HD12 ' A' ' 14' ' ' LEU . 2.3 mmt -58.65 125.02 21.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 0.766 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.773 HD23 ' HB3' ' A' ' 97' ' ' PHE . 1.4 mp -146.87 150.65 35.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.265 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.437 ' O ' ' HA ' ' A' ' 97' ' ' PHE . 0.3 OUTLIER -93.67 96.32 9.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 108.319 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.56 ' HG3' ' CZ ' ' A' ' 97' ' ' PHE . 6.6 ttp180 -87.78 114.88 24.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 110.318 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.506 ' HD2' ' CE2' ' A' ' 32' ' ' TRP . 8.5 tttm -124.4 105.54 9.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.724 ' CD ' ' HB2' ' A' ' 27' ' ' ALA . 0.9 OUTLIER -58.53 147.76 30.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.289 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.45 ' N ' ' OE1' ' A' ' 18' ' ' GLN . 1.6 mm-40 -121.94 -46.96 2.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.256 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.43 ' N ' ' OE1' ' A' ' 18' ' ' GLN . 24.1 mtp -137.99 144.91 41.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.102 . . . . 0.0 110.985 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.467 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 10.8 tt0 -98.88 -11.5 21.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.275 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.467 ' HB2' ' O ' ' A' ' 21' ' ' GLU . . . 176.61 169.71 0.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -47.19 112.7 0.56 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.987 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.43 28.57 73.8 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.522 1.139 . . . . 0.0 110.963 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.51 ' CE ' ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -128.57 132.15 48.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 0.796 . . . . 0.0 109.287 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.51 ' O ' ' CE ' ' A' ' 25' ' ' LYS . 15.9 pttt -106.96 146.84 30.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.724 ' HB2' ' CD ' ' A' ' 18' ' ' GLN . . . -69.98 127.28 32.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.55 -76.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -110.24 95.96 5.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.594 ' CD ' ' HB3' ' A' ' 27' ' ' ALA . 0.5 OUTLIER -122.54 95.88 4.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.304 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.3 m -119.34 165.05 14.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.997 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.506 ' CE2' ' HD2' ' A' ' 17' ' ' LYS . 90.8 m95 -68.06 119.93 13.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 108.009 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.558 ' O ' HG23 ' A' ' 35' ' ' VAL . 31.3 mt-30 -142.61 131.1 22.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -64.34 103.38 0.63 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 33' ' ' GLN . 41.0 t -124.04 122.85 65.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.524 ' CE1' ' HB2' ' A' ' 50' ' ' ALA . 57.7 t80 -72.28 111.05 7.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 111.022 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.707 ' SG ' HD11 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -74.07 132.27 42.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 108.312 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 55.9 t -130.54 105.87 12.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.35 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 1.111 HD22 HG12 ' A' ' 111' ' ' VAL . 0.6 OUTLIER -99.71 139.56 35.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 178.08 137.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.266 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 67.88 7.92 6.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 110.312 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.725 ' HA2' ' HB1' ' A' ' 115' ' ' ALA . . . 87.78 27.88 25.42 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 17.4 p -134.29 134.61 42.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 0.761 . . . . 0.0 109.998 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.707 HD11 ' SG ' ' A' ' 37' ' ' CYS . 33.5 tp -96.55 112.71 24.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.259 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -103.27 143.07 15.67 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.46 1.1 . . . . 0.0 111.032 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.541 ' HB3' HG11 ' A' ' 35' ' ' VAL . 35.1 m-85 -104.8 139.97 38.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.771 . . . . 0.0 110.949 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.512 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 46.7 m-85 -148.35 168.65 22.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 111.04 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.8 ttpp -64.81 -58.84 5.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.568 ' H ' ' HB3' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -150.59 -178.36 6.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.318 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.524 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . . . -63.4 -16.4 60.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.5 mmtt -87.51 -18.9 28.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.568 ' HB3' ' H ' ' A' ' 49' ' ' ASP . . . -95.11 -15.53 23.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 109.258 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.506 ' HA ' ' CD2' ' A' ' 47' ' ' TYR . . . -83.24 -46.8 12.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.5 t -67.8 -39.83 83.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.997 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.32 -10.84 60.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.96 26.88 71.56 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 52' ' ' ALA . 58.1 t -94.34 113.8 61.75 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 139.04 23.87 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.477 1.777 . . . . 0.0 111.045 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -48.17 -64.96 0.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -125.46 40.39 3.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.148 . . . . 0.0 109.556 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 58.38 16.35 27.8 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.512 1.132 . . . . 0.0 111.004 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -79.88 135.27 36.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 0.747 . . . . 0.0 110.279 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.408 HG13 ' H ' ' A' ' 63' ' ' VAL . 0.8 OUTLIER -77.24 168.9 24.14 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 143.35 28.95 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.498 1.788 . . . . 0.0 110.977 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 16.9 m -88.09 123.62 40.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.366 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.0 p -66.79 128.79 37.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.1 . . . . 0.0 109.995 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.619 HD11 HD12 ' A' ' 39' ' ' LEU . 9.0 mt -93.2 28.67 2.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -78.58 113.93 17.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.5 mtm180 69.18 18.4 8.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.297 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -79.38 171.54 15.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.45 ' O ' HD12 ' A' ' 87' ' ' LEU . 2.6 mm-40 -129.76 129.19 43.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.268 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -118.26 112.39 2.38 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.111 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.21 160.18 39.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 110.004 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.475 ' HA ' ' CB ' ' A' ' 85' ' ' PHE . 0.9 OUTLIER -84.83 163.69 2.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.969 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.551 ' CD2' ' HA ' ' A' ' 101' ' ' ASP . 0.1 OUTLIER 50.43 66.16 1.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.578 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.431 ' CG2' ' HG3' ' A' ' 98' ' ' GLN . 70.9 t -131.04 121.61 49.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.598 ' CG ' HD21 ' A' ' 109' ' ' LEU . 14.8 p90 -119.71 151.21 39.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 111.009 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.5 ttmt -98.55 137.57 37.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.45 HD12 ' O ' ' A' ' 71' ' ' GLN . 47.3 tp -119.87 103.61 9.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -99.92 114.97 5.18 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.476 1.11 . . . . 0.0 110.976 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 8.0 mt -75.96 170.55 16.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 0.775 . . . . 0.0 109.257 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -75.64 -14.99 60.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.269 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -91.32 21.28 4.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 64.82 34.31 89.55 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.542 1.151 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 20' ' ' MET . 0.0 OUTLIER -105.49 113.46 27.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 0.742 . . . . 0.0 109.286 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -103.58 132.62 49.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.52 ' CE1' ' HG2' ' A' ' 18' ' ' GLN . 46.0 m-85 -129.16 158.54 38.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 96' ' ' LEU . 17.0 mt -125.16 121.7 34.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.773 ' HB3' HD23 ' A' ' 14' ' ' LEU . 98.1 m-85 -124.0 130.19 52.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 111.017 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.431 ' HG3' ' CG2' ' A' ' 84' ' ' VAL . 33.4 tt0 -104.16 119.81 39.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.539 ' HA ' HD11 ' A' ' 14' ' ' LEU . . . -83.88 170.9 13.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.401 ' O ' ' CG ' ' A' ' 101' ' ' ASP . 0.1 OUTLIER -75.97 -23.66 55.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.108 . . . . 0.0 109.291 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.551 ' HA ' ' CD2' ' A' ' 83' ' ' HIS . 61.0 m-20 -168.29 -175.92 2.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.253 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -63.22 -29.72 71.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.291 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.95 -66.87 0.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.511 ' HB3' ' HB1' ' A' ' 99' ' ' ALA . 0.4 OUTLIER -38.76 -47.53 1.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.553 ' SD ' ' N ' ' A' ' 106' ' ' SER . 3.1 tmm? -62.55 -69.62 0.25 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.553 ' N ' ' SD ' ' A' ' 105' ' ' MET . 1.3 t -35.37 -47.25 0.42 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.999 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.889 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.4 OUTLIER -57.95 -52.38 65.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.016 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.57 ' CH2' ' HB3' ' A' ' 37' ' ' CYS . 33.4 m95 -47.52 -66.13 0.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 108.028 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.598 HD21 ' CG ' ' A' ' 85' ' ' PHE . 1.2 mm? -42.85 -48.78 5.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 15.3 ttt85 -59.17 -38.0 78.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 110.29 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 1.111 HG12 HD22 ' A' ' 39' ' ' LEU . 21.7 t -76.63 -59.88 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.47 ' N ' ' O ' ' A' ' 108' ' ' TRP . 83.5 t -46.42 -36.58 2.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ASN . . . . . 0.406 ' ND2' ' O ' ' A' ' 109' ' ' LEU . 14.1 m-80 -71.84 -37.75 70.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 111' ' ' VAL . . . -68.12 -16.48 64.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.725 ' HB1' ' HA2' ' A' ' 42' ' ' GLY . . . -92.98 -38.87 11.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 67.9 mt -63.35 -56.24 18.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 109.352 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -52.5 -47.05 66.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.026 -179.992 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.746 ' HA ' HD23 ' A' ' 39' ' ' LEU . 0.5 OUTLIER -122.58 146.75 47.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.661 ' HB2' HG11 ' A' ' 111' ' ' VAL . 7.9 ttt -146.81 129.57 16.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 110.96 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.478 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 7.7 pt-20 -138.64 126.58 22.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.59 153.62 22.1 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.495 1.122 . . . . 0.0 110.962 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.639 ' O ' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -58.69 123.22 15.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 0.782 . . . . 0.0 110.959 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.639 HD12 ' O ' ' A' ' 13' ' ' MET . 1.2 mp -141.25 157.55 45.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -96.43 96.3 8.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.128 . . . . 0.0 108.254 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.529 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 8.8 ttp180 -88.63 121.18 30.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.508 ' HD2' ' CE2' ' A' ' 32' ' ' TRP . 16.5 tttt -124.86 98.3 5.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.721 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 38.7 tt0 -60.34 109.04 0.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.287 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -90.41 -46.48 8.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.27 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.467 ' CE ' ' O ' ' A' ' 25' ' ' LYS . 5.2 mtp -126.98 143.11 51.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.518 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 9.9 tt0 -104.04 -10.76 17.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.518 ' HB2' ' O ' ' A' ' 21' ' ' GLU . . . 174.84 171.84 0.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -48.4 113.83 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 110.979 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 65.54 17.83 64.97 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.454 1.096 . . . . 0.0 110.978 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.467 ' O ' ' CE ' ' A' ' 20' ' ' MET . 0.0 OUTLIER -109.21 127.58 54.35 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 0.78 . . . . 0.0 109.273 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.91 141.68 32.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.721 ' HB2' ' HG2' ' A' ' 18' ' ' GLN . . . -72.49 132.29 43.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.24 -68.05 0.21 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.258 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -57.43 -68.27 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.428 ' HA ' ' O ' ' A' ' 18' ' ' GLN . 5.5 ttt-85 51.47 47.66 24.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.47 147.81 44.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.035 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.508 ' CE2' ' HD2' ' A' ' 17' ' ' LYS . 81.3 m95 -68.59 125.59 26.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 108.002 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.463 ' O ' HG23 ' A' ' 35' ' ' VAL . 67.7 mt-30 -146.26 131.36 18.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.54 1.15 . . . . 0.0 110.265 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -66.29 103.75 1.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.475 ' CG1' ' HB3' ' A' ' 46' ' ' PHE . 46.3 t -123.9 124.59 69.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.702 ' CE1' ' HB2' ' A' ' 50' ' ' ALA . 21.8 t80 -69.49 114.82 8.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.862 ' SG ' HD11 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -80.75 126.59 31.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 108.316 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.436 HG23 ' HD2' ' A' ' 36' ' ' TYR . 6.3 t -124.6 103.99 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.948 HD22 HG12 ' A' ' 111' ' ' VAL . 1.2 tt -98.41 144.93 27.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.47 ' O ' ' N ' ' A' ' 42' ' ' GLY . 3.1 tpt180 -141.35 -146.41 0.19 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.12 66.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.329 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.786 ' HA2' ' HB1' ' A' ' 115' ' ' ALA . . . 73.28 50.15 13.31 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.483 1.115 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.6 m -160.35 122.28 3.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 0.75 . . . . 0.0 110.03 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.862 HD11 ' SG ' ' A' ' 37' ' ' CYS . 27.0 tp -105.69 105.61 15.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -99.55 150.59 19.16 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.498 1.124 . . . . 0.0 111.033 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.518 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 60.1 m-85 -109.47 138.52 45.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 0.748 . . . . 0.0 110.983 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.518 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 15.5 m-85 -142.55 157.23 44.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.996 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 10.3 tptt -48.65 -61.74 1.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.478 ' HA ' ' CE ' ' A' ' 13' ' ' MET . 0.6 OUTLIER -155.5 -173.06 4.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.702 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . . . -67.03 -10.54 50.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 36.4 mmtt -82.71 -23.29 34.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.504 ' HB1' ' O ' ' A' ' 57' ' ' VAL . . . -96.71 -31.02 12.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.34 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.6 -41.41 90.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.341 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.7 t -78.93 -25.08 43.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.944 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.848 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -91.29 11.86 22.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 45.42 27.8 2.03 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.466 1.104 . . . . 0.0 111.013 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.848 HG23 ' O ' ' A' ' 55' ' ' ALA . 45.9 t -99.92 121.6 53.58 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.521 0.777 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 147.68 34.33 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.487 1.782 . . . . 0.0 110.992 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -56.03 -67.17 0.32 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 110.966 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -120.73 45.63 2.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.103 . . . . 0.0 109.629 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 55.84 17.11 14.14 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.458 1.098 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -73.59 155.82 38.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 0.739 . . . . 0.0 110.349 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -102.89 168.46 8.79 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 147.72 34.31 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.499 1.789 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.551 HG22 ' O ' ' A' ' 44' ' ' LEU . 11.8 m -95.61 121.89 46.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 31.4 t -54.84 129.96 39.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.983 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.708 HD11 HD12 ' A' ' 39' ' ' LEU . 91.1 mt -99.94 50.22 0.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.663 ' O ' HG23 ' A' ' 116' ' ' ILE . . . -58.23 -116.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 70' ' ' ALA . 1.0 OUTLIER -83.0 14.82 3.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 110.28 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.486 ' O ' HG21 ' A' ' 116' ' ' ILE . . . -42.02 163.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.611 ' O ' HD12 ' A' ' 87' ' ' LEU . 14.0 pt20 -123.48 133.69 54.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -124.14 109.2 1.24 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.458 1.099 . . . . 0.0 111.024 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 70.5 m -137.11 155.78 49.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 0.767 . . . . 0.0 110.023 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.657 HG22 ' HE3' ' A' ' 105' ' ' MET . 55.9 t -64.84 155.98 6.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.254 -179.975 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.421 ' C ' ' CG ' ' A' ' 83' ' ' HIS . 34.4 mttt . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.511 ' CD2' ' HA ' ' A' ' 101' ' ' ASP . 0.1 OUTLIER 59.08 68.41 0.82 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.58 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.562 HG22 ' HG3' ' A' ' 98' ' ' GLN . 91.9 t -131.71 133.16 61.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.612 ' CZ ' ' HB2' ' A' ' 97' ' ' PHE . 6.0 p90 -129.65 142.64 50.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.977 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 17.7 ttmt -95.28 138.73 32.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.328 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.611 HD12 ' O ' ' A' ' 71' ' ' GLN . 38.6 tp -122.54 114.05 20.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -112.12 114.98 3.68 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.467 1.105 . . . . 0.0 110.959 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.404 ' N ' HD23 ' A' ' 89' ' ' LEU . 7.6 mt -73.71 -176.28 2.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -89.78 -8.61 51.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.275 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -97.09 15.87 21.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 72.34 30.84 64.2 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.514 1.134 . . . . 0.0 110.96 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.27 110.63 22.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 0.74 . . . . 0.0 109.363 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -106.16 130.48 54.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -126.78 149.25 49.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.455 HD23 ' HA ' ' A' ' 96' ' ' LEU . 15.7 mt -117.22 116.55 27.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.644 ' CE1' ' SG ' ' A' ' 37' ' ' CYS . 97.1 m-85 -118.13 140.7 49.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 111.048 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.562 ' HG3' HG22 ' A' ' 84' ' ' VAL . 25.2 tt0 -118.12 117.1 28.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.132 . . . . 0.0 110.331 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.504 ' HB1' ' HB3' ' A' ' 104' ' ' GLU . . . -82.43 170.14 15.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.271 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 10.7 pttt -68.45 -40.49 81.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.272 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.511 ' HA ' ' CD2' ' A' ' 83' ' ' HIS . 32.1 m-20 -148.44 -168.3 3.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.436 ' CG ' ' N ' ' A' ' 103' ' ' ALA . 2.7 pt-20 -67.58 -42.58 82.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.436 ' N ' ' CG ' ' A' ' 102' ' ' GLU . . . -56.32 -68.7 0.19 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.444 1.09 . . . . 0.0 109.279 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.504 ' HB3' ' HB1' ' A' ' 99' ' ' ALA . 3.6 tp10 -39.19 -43.36 1.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.657 ' HE3' HG22 ' A' ' 74' ' ' VAL . 20.8 ttp -66.26 -68.26 0.38 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -40.27 -40.68 1.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.97 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.902 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.3 OUTLIER -60.88 -56.44 21.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.973 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.547 ' CH2' ' HB3' ' A' ' 37' ' ' CYS . 37.9 m95 -42.3 -66.86 0.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 108.017 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.576 HD21 ' CG ' ' A' ' 85' ' ' PHE . 1.0 OUTLIER -41.12 -56.55 2.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 32.2 ttt-85 -50.88 -37.49 43.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.298 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.948 HG12 HD22 ' A' ' 39' ' ' LEU . 7.2 t -77.56 -60.3 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.487 HG11 HD13 ' A' ' 87' ' ' LEU . 85.6 t -45.19 -44.27 3.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.494 1.122 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -65.51 -39.03 91.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 111' ' ' VAL . . . -63.33 -19.97 65.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.786 ' HB1' ' HA2' ' A' ' 42' ' ' GLY . . . -89.71 -35.85 15.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.663 HG23 ' O ' ' A' ' 68' ' ' ALA . 22.0 mt -74.05 -41.54 52.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.51 -52.31 47.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.998 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -97.62 150.71 20.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.282 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.655 ' CB ' HG11 ' A' ' 111' ' ' VAL . 3.1 ttt -156.64 135.34 11.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 111.037 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.435 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 6.5 pt-20 -150.13 131.93 15.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.244 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -172.25 166.35 39.13 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.56 1.163 . . . . 0.0 110.99 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.535 ' O ' HD12 ' A' ' 14' ' ' LEU . 1.7 tpt -70.8 114.0 8.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 0.753 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.785 HD23 ' HB3' ' A' ' 97' ' ' PHE . 1.9 mp -130.81 155.41 46.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.434 ' O ' ' O ' ' A' ' 96' ' ' LEU . 0.1 OUTLIER -95.38 96.28 9.02 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.125 . . . . 0.0 108.279 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.582 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 7.8 ttp180 -89.15 119.15 29.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.123 . . . . 0.0 110.303 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.417 ' HD2' ' NE1' ' A' ' 32' ' ' TRP . 5.8 tttt -124.15 101.81 7.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.107 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.487 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 28.9 tt0 -63.29 109.8 1.69 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 110.331 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -85.0 -58.05 2.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.504 ' CE ' ' O ' ' A' ' 25' ' ' LYS . 88.0 mmm -120.54 153.28 36.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 111.032 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.52 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 6.1 tt0 -106.34 -11.72 15.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.52 ' HB2' ' O ' ' A' ' 21' ' ' GLU . . . 174.18 173.64 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -48.28 116.25 1.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 111.006 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 62.42 11.93 36.8 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.504 ' O ' ' CE ' ' A' ' 20' ' ' MET . 0.1 OUTLIER -99.58 131.94 45.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 0.754 . . . . 0.0 109.301 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.04 139.99 33.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.487 ' HB2' ' HG2' ' A' ' 18' ' ' GLN . . . -68.26 148.27 51.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.84 -76.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.89 -73.82 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.439 ' HG3' ' HB3' ' A' ' 27' ' ' ALA . 2.2 ttm105 76.43 44.34 0.13 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.585 1.178 . . . . 0.0 110.329 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.73 159.33 25.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.994 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.417 ' NE1' ' HD2' ' A' ' 17' ' ' LYS . 77.5 m95 -74.66 131.32 40.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 107.982 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.498 ' O ' HG23 ' A' ' 35' ' ' VAL . 56.8 mt-30 -147.64 119.55 8.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.329 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -60.62 103.57 0.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.582 HG11 ' HB3' ' A' ' 46' ' ' PHE . 95.9 t -120.97 126.91 75.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.5 ' CE1' ' HB2' ' A' ' 50' ' ' ALA . 7.3 t80 -69.06 115.29 8.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.579 ' HB3' ' CH2' ' A' ' 108' ' ' TRP . 0.8 OUTLIER -81.89 130.22 35.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 108.279 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 60.9 t -133.12 105.55 8.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 1.024 HD22 HG12 ' A' ' 111' ' ' VAL . 0.8 OUTLIER -98.76 139.19 34.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -167.74 142.67 3.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.294 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 49.58 25.72 1.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.301 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.552 ' HA2' ' HB1' ' A' ' 115' ' ' ALA . . . 73.41 48.21 19.38 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.536 1.148 . . . . 0.0 111.04 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 89.9 p -152.69 126.45 8.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 0.798 . . . . 0.0 109.994 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.439 HD11 ' SG ' ' A' ' 37' ' ' CYS . 30.7 tp -89.53 124.13 34.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -118.63 128.58 7.76 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.582 ' HB3' HG11 ' A' ' 35' ' ' VAL . 34.3 m-85 -92.08 134.76 34.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 0.75 . . . . 0.0 110.98 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.408 ' O ' ' C ' ' A' ' 48' ' ' LYS . 47.6 m-85 -137.69 145.38 42.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.529 ' HA ' ' CD2' ' A' ' 59' ' ' TYR . 23.9 ttpt -39.66 -57.44 1.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.55 ' H ' ' HB3' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -160.08 -178.59 7.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.5 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . . . -60.18 -22.44 62.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.108 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.2 mmtm -80.02 -17.11 53.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.55 ' HB3' ' H ' ' A' ' 49' ' ' ASP . . . -96.41 -26.44 15.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.92 -42.1 58.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 109.272 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.2 t -69.25 -26.59 64.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.956 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -91.9 -1.34 57.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 60.59 38.24 94.67 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.6 t -106.6 113.96 62.45 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.516 0.774 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 133.2 16.22 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.5 1.79 . . . . 0.0 110.963 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.529 ' CD2' ' HA ' ' A' ' 48' ' ' LYS . 0.3 OUTLIER -58.74 116.34 3.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 111.01 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.4 m170 53.41 20.57 2.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.559 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 64.61 41.02 97.98 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.481 1.113 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.423 ' O ' ' O ' ' A' ' 63' ' ' VAL . 52.8 mt-10 -91.58 92.96 8.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 0.733 . . . . 0.0 110.278 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.423 ' O ' ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -43.13 166.66 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 163.09 36.07 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.473 1.775 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.7 m -107.11 122.94 61.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.264 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.1 m -67.27 131.06 44.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.992 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.48 ' CD1' HD11 ' A' ' 39' ' ' LEU . 13.7 mt -95.59 29.44 2.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -79.0 107.39 11.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.9 mtm180 75.31 22.92 1.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 110.259 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.615 ' O ' HD13 ' A' ' 116' ' ' ILE . . . -92.26 152.47 19.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.275 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.498 ' O ' HD12 ' A' ' 87' ' ' LEU . 3.1 mm-40 -114.29 137.84 51.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -124.53 117.5 3.08 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.455 1.097 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 70.9 m -137.74 161.45 36.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 0.789 . . . . 0.0 109.98 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.472 ' HA ' ' CB ' ' A' ' 85' ' ' PHE . 0.9 OUTLIER -82.3 163.8 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.405 ' N ' ' HA ' ' A' ' 85' ' ' PHE . . . . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 109.251 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.418 ' C ' ' CG ' ' A' ' 83' ' ' HIS . 81.4 mttt . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.561 ' CE1' ' HA ' ' A' ' 101' ' ' ASP . 0.0 OUTLIER 48.43 73.14 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.632 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.535 HG22 ' HG3' ' A' ' 98' ' ' GLN . 44.3 t -131.01 143.09 41.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.736 ' CG ' HD21 ' A' ' 109' ' ' LEU . 15.2 p90 -139.49 148.08 42.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 111.026 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 28.1 ttmt -95.59 145.59 25.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.498 HD12 ' O ' ' A' ' 71' ' ' GLN . 35.3 tp -130.9 104.75 7.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -99.37 114.71 5.1 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.525 1.141 . . . . 0.0 110.965 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.402 ' N ' HD23 ' A' ' 89' ' ' LEU . 5.3 mt -72.11 -179.32 2.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 0.75 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -88.82 0.23 56.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.266 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -109.38 19.81 18.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 69.52 28.07 72.76 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.515 1.134 . . . . 0.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.28 103.26 14.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 0.771 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -98.46 128.13 44.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.349 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -120.4 163.0 18.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 110.985 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.434 ' O ' ' O ' ' A' ' 15' ' ' CYS . 16.1 mt -130.64 119.1 21.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.785 ' HB3' HD23 ' A' ' 14' ' ' LEU . 98.3 m-85 -121.19 132.5 54.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.535 ' HG3' HG22 ' A' ' 84' ' ' VAL . 43.7 tt0 -109.13 108.44 19.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.289 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.542 ' HA ' HD11 ' A' ' 14' ' ' LEU . . . -71.16 174.58 6.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.087 . . . . 0.0 109.259 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 24.1 pttt -76.37 -36.34 58.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.354 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.561 ' HA ' ' CE1' ' A' ' 83' ' ' HIS . 62.9 m-20 -154.37 -178.5 7.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.364 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -57.5 -44.55 85.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.318 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.17 -67.93 0.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -38.4 -46.48 1.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.292 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.538 ' SD ' ' N ' ' A' ' 106' ' ' SER . 3.6 tmm? -60.21 -71.59 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.538 ' N ' ' SD ' ' A' ' 105' ' ' MET . 0.5 OUTLIER -35.04 -50.32 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.069 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.927 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.3 OUTLIER -54.32 -51.76 63.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.974 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.581 ' CD1' ' HE1' ' A' ' 10' ' ' MET . 19.1 m95 -51.3 -51.83 50.66 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.736 HD21 ' CG ' ' A' ' 85' ' ' PHE . 2.7 mm? -56.36 -48.75 76.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -59.69 -42.14 92.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.302 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 1.024 HG12 HD22 ' A' ' 39' ' ' LEU . 21.6 t -69.84 -59.5 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 108' ' ' TRP . 76.9 t -47.56 -41.01 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -70.13 -38.57 75.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.35 -17.9 64.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.552 ' HB1' ' HA2' ' A' ' 42' ' ' GLY . . . -90.67 -41.93 11.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.615 HD13 ' O ' ' A' ' 70' ' ' ALA . 51.4 mt -59.08 -53.13 52.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -53.72 -43.65 69.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.017 179.994 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -96.28 145.66 25.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.328 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.631 ' HE1' ' CD1' ' A' ' 108' ' ' TRP . 4.9 ttt -151.87 137.05 17.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 111.039 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.436 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 6.6 pt-20 -154.7 131.72 10.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.322 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -172.44 167.13 40.0 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.53 1.144 . . . . 0.0 110.992 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.687 ' HE3' ' HA ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -71.55 115.17 10.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 0.775 . . . . 0.0 111.031 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.62 HD12 ' O ' ' A' ' 13' ' ' MET . 2.2 mp -131.65 150.17 52.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -87.79 95.68 10.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 108.325 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.574 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 18.2 ttp180 -87.99 118.4 27.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.269 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.516 ' HD3' ' CE2' ' A' ' 32' ' ' TRP . 0.4 OUTLIER -123.79 95.54 4.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.466 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 13.1 tt0 -60.06 112.49 1.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.283 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -92.59 -56.67 2.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.115 . . . . 0.0 110.317 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 88.4 mmm -117.63 155.79 29.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 110.993 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.514 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 9.3 tt0 -111.33 -12.19 14.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.296 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.514 ' HB2' ' O ' ' A' ' 21' ' ' GLU . . . 174.56 173.74 0.2 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -47.26 117.5 1.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 59.46 14.27 26.79 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.518 1.136 . . . . 0.0 110.966 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.29 127.23 46.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 0.772 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.74 139.18 32.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.431 1.082 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.466 ' CB ' ' HG2' ' A' ' 18' ' ' GLN . . . -78.16 131.57 37.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.102 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.66 -62.95 0.79 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -110.37 134.28 52.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.448 ' NH1' ' HB2' ' A' ' 30' ' ' ARG . 13.3 mtm105 -127.84 50.5 2.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 110.281 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.9 m -96.09 159.75 14.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.039 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.516 ' CE2' ' HD3' ' A' ' 17' ' ' LYS . 81.5 m95 -86.29 128.02 34.86 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.568 ' O ' HG23 ' A' ' 35' ' ' VAL . 3.7 mp0 -145.29 123.84 12.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 110.32 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -63.18 104.19 0.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 33' ' ' GLN . 58.3 t -117.81 127.0 75.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.683 ' CZ ' ' HB2' ' A' ' 50' ' ' ALA . 6.8 t80 -71.4 108.28 4.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.523 ' SG ' ' CE1' ' A' ' 97' ' ' PHE . 0.6 OUTLIER -76.66 128.13 34.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 108.3 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 74.9 t -127.52 105.52 13.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.33 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.864 HD22 HG12 ' A' ' 111' ' ' VAL . 0.7 OUTLIER -97.26 138.41 34.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -176.87 136.44 0.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.287 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.6 mtm180 64.12 33.46 11.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.312 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.73 ' HA2' ' HB1' ' A' ' 115' ' ' ALA . . . 67.75 20.79 72.57 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.442 ' O ' ' HA ' ' A' ' 39' ' ' LEU . 3.1 m -118.8 166.85 12.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 0.752 . . . . 0.0 109.998 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.433 HD11 ' SG ' ' A' ' 37' ' ' CYS . 50.0 tp -133.76 103.04 5.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -98.53 158.13 20.37 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.582 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 67.4 m-85 -119.05 144.91 46.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 0.783 . . . . 0.0 110.955 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.582 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 34.5 m-85 -150.35 156.66 41.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -48.37 -65.46 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.687 ' HA ' ' HE3' ' A' ' 13' ' ' MET . 0.9 OUTLIER -150.61 -175.55 5.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.683 ' HB2' ' CZ ' ' A' ' 36' ' ' TYR . . . -62.54 -14.19 39.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.343 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -77.56 -43.43 31.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.8 -37.07 70.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.249 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.23 -51.54 64.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.77 -28.17 68.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.004 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.809 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -90.67 12.09 20.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.44 1.087 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 42.31 33.89 1.47 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.809 HG23 ' O ' ' A' ' 55' ' ' ALA . 96.8 t -101.52 121.01 52.94 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.495 0.762 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 136.07 19.93 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.495 1.787 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.403 ' CZ ' ' CE1' ' A' ' 60' ' ' HIS . 21.7 t80 -50.14 -67.3 0.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.403 ' CE1' ' CZ ' ' A' ' 59' ' ' TYR . 0.3 OUTLIER -117.11 43.74 2.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.08 . . . . 0.0 109.59 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 51.28 20.4 4.96 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -77.28 160.56 28.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 0.776 . . . . 0.0 110.339 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -105.76 168.34 8.41 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.361 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 136.37 20.37 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.464 1.771 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 17.2 m -85.23 124.5 40.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.51 127.82 34.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.032 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.478 HD11 HD12 ' A' ' 39' ' ' LEU . 8.3 mt -90.6 40.65 1.02 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.445 ' O ' ' NE2' ' A' ' 90' ' ' GLN . . . -83.26 110.99 18.55 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.104 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.7 mtm180 69.24 17.88 8.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.252 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -77.43 176.16 9.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -146.87 134.63 21.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -122.2 124.67 5.81 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.493 1.12 . . . . 0.0 110.992 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.1 t -136.54 161.26 36.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 0.775 . . . . 0.0 110.037 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.649 HG22 ' CE ' ' A' ' 105' ' ' MET . 38.8 t -83.14 150.4 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.241 -179.962 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.538 ' O ' ' CG ' ' A' ' 83' ' ' HIS . 7.4 mtpt . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.64 ' CE1' ' O ' ' A' ' 99' ' ' ALA . 19.2 p80 49.62 60.86 3.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.553 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.768 HG22 ' HG3' ' A' ' 98' ' ' GLN . 65.8 t -131.56 122.44 50.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.588 ' CZ ' ' HB2' ' A' ' 97' ' ' PHE . 8.5 p90 -129.45 136.8 50.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 111.027 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.0 ttmt -92.84 128.62 38.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.769 HD13 HG11 ' A' ' 112' ' ' VAL . 37.2 tp -109.73 100.54 9.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -92.86 115.24 4.83 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.544 1.152 . . . . 0.0 111.057 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.0 mt -73.38 -177.01 2.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 0.773 . . . . 0.0 109.317 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.445 ' NE2' ' O ' ' A' ' 68' ' ' ALA . 10.6 pt20 -89.54 -5.88 56.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -106.14 27.98 8.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 109.276 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 62.51 36.33 93.03 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.479 1.112 . . . . 0.0 111.028 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.88 108.7 20.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 0.775 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -106.87 125.67 51.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.308 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -122.22 143.81 49.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.487 HD23 ' HA ' ' A' ' 96' ' ' LEU . 9.8 mt -108.35 121.55 45.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.588 ' HB2' ' CZ ' ' A' ' 85' ' ' PHE . 72.0 m-85 -120.13 146.69 45.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.097 . . . . 0.0 111.034 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.768 ' HG3' HG22 ' A' ' 84' ' ' VAL . 2.8 tt0 -125.26 111.99 15.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.657 ' HB1' ' HB3' ' A' ' 104' ' ' GLU . . . -77.35 -140.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.439 ' HG3' ' N ' ' A' ' 101' ' ' ASP . 0.0 OUTLIER -119.59 -27.2 5.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ASP . . . . . 0.439 ' N ' ' HG3' ' A' ' 100' ' ' LYS . 64.7 m-20 -161.75 -174.77 4.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -69.45 -8.36 46.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 110.277 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 104' ' ' GLU . . . -89.23 -71.0 0.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.657 ' HB3' ' HB1' ' A' ' 99' ' ' ALA . 0.9 OUTLIER -37.9 -43.05 0.66 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 110.3 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.649 ' CE ' HG22 ' A' ' 74' ' ' VAL . 4.8 ttp -69.59 -61.87 1.61 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -39.62 -40.23 0.86 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.994 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.844 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.3 OUTLIER -65.16 -51.14 62.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.97 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.631 ' CD1' ' HE1' ' A' ' 10' ' ' MET . 30.1 m95 -45.44 -63.43 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 107.993 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.562 HD21 ' CG ' ' A' ' 85' ' ' PHE . 0.9 OUTLIER -44.36 -50.93 8.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.31 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 45.6 ttt180 -56.51 -36.84 69.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.304 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.864 HG12 HD22 ' A' ' 39' ' ' LEU . 17.2 t -77.33 -59.44 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.769 HG11 HD13 ' A' ' 87' ' ' LEU . 87.8 t -46.04 -38.49 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.231 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -71.45 -37.52 71.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 111' ' ' VAL . . . -67.71 -17.64 64.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.73 ' HB1' ' HA2' ' A' ' 42' ' ' GLY . . . -91.19 -41.72 10.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.427 1.08 . . . . 0.0 109.329 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 52.2 mt -58.2 -58.98 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.66 -62.92 1.32 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.038 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.531 ' CD ' ' HB1' ' A' ' 114' ' ' ALA . 1.7 mp0 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -100.19 142.07 32.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.306 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' MET . . . . . 0.87 ' HB2' HG11 ' A' ' 111' ' ' VAL . 5.0 ttt -140.58 131.15 25.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 110.993 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.481 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 7.8 pt-20 -146.64 125.57 12.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.304 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.14 158.68 31.35 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.476 1.11 . . . . 0.0 110.986 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.73 ' O ' HD12 ' A' ' 14' ' ' LEU . 2.0 mmt -59.35 120.28 9.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 0.797 . . . . 0.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.73 HD12 ' O ' ' A' ' 13' ' ' MET . 1.7 mp -140.93 154.68 46.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.455 ' O ' ' O ' ' A' ' 96' ' ' LEU . 0.1 OUTLIER -97.03 96.76 8.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 108.296 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.527 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 10.4 ttp180 -88.51 119.66 29.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.274 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.465 ' HD2' ' CE2' ' A' ' 32' ' ' TRP . 4.1 tttp -124.98 94.7 4.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.491 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 44.1 tt0 -66.73 111.47 3.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.267 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.479 ' OE2' ' N ' ' A' ' 96' ' ' LEU . 0.6 OUTLIER -95.1 -50.22 5.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.303 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.513 ' CE ' ' O ' ' A' ' 25' ' ' LYS . 69.8 mmm -114.98 142.68 46.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.401 ' O ' ' O ' ' A' ' 92' ' ' GLY . 3.1 tt0 -112.93 -11.6 13.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 110.273 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.466 ' HA ' ' O ' ' A' ' 92' ' ' GLY . . . -166.02 176.53 7.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -60.13 128.83 38.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 111.019 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 43.37 32.08 1.7 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.489 1.118 . . . . 0.0 110.993 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.513 ' O ' ' CE ' ' A' ' 20' ' ' MET . 0.0 OUTLIER -107.31 -158.19 0.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.765 . . . . 0.0 109.262 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.0 pttt -153.07 140.7 19.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.491 ' CB ' ' HG2' ' A' ' 18' ' ' GLN . . . -83.3 142.32 31.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 27' ' ' ALA . . . -40.37 -71.16 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.25 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -104.4 138.97 40.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 40.3 mtm180 -124.97 56.5 1.32 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.95 158.0 27.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.016 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.465 ' CE2' ' HD2' ' A' ' 17' ' ' LYS . 86.6 m95 -79.58 132.41 36.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 108.011 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.438 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.3 mt-30 -144.41 129.59 18.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 110.288 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -66.02 103.86 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.471 ' CG1' ' HB3' ' A' ' 46' ' ' PHE . 47.8 t -125.36 125.59 69.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.753 ' CE1' ' HB2' ' A' ' 50' ' ' ALA . 57.0 t80 -73.07 110.36 7.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 110.988 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.638 ' SG ' HD11 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -74.16 132.14 41.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 108.313 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 56.4 t -128.95 105.33 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.332 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.994 HD22 HG12 ' A' ' 111' ' ' VAL . 0.6 OUTLIER -102.5 141.84 34.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.282 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 42' ' ' GLY . 1.1 tpt180 -134.17 -149.68 0.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.32 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.6 mmt85 -66.62 68.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 40' ' ' ARG . . . 79.03 55.16 3.86 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.469 1.106 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.45 ' O ' ' HA ' ' A' ' 39' ' ' LEU . 33.2 p -159.82 166.69 29.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 0.77 . . . . 0.0 110.002 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.638 HD11 ' SG ' ' A' ' 37' ' ' CYS . 28.5 tp -150.62 102.9 3.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.22 155.27 19.52 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.503 1.127 . . . . 0.0 110.986 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.588 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 66.0 m-85 -115.2 137.22 52.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 0.776 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.588 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 5.4 m-85 -143.68 163.13 34.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -53.02 -67.05 0.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.599 ' H ' ' HB3' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -146.73 179.02 7.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.753 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . . . -60.52 -18.69 53.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.3 mmtm -85.74 -17.72 35.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.599 ' HB3' ' H ' ' A' ' 49' ' ' ASP . . . -95.64 -13.35 24.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.09 -41.87 24.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.06 -40.72 96.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.986 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.03 -21.61 62.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.87 43.48 11.24 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.515 1.134 . . . . 0.0 110.982 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 84.0 t -105.08 105.08 50.26 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.515 0.773 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 128.41 11.47 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.52 1.8 . . . . 0.0 110.968 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.402 ' C ' ' N ' ' A' ' 61' ' ' GLY . 4.6 t80 -49.97 118.84 3.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 110.988 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 11.4 m170 48.83 23.44 0.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 0.0 109.571 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.402 ' N ' ' C ' ' A' ' 59' ' ' TYR . . . 63.74 23.42 67.21 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.487 1.117 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.433 ' O ' ' O ' ' A' ' 63' ' ' VAL . 38.5 mt-10 -75.41 97.61 3.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 0.778 . . . . 0.0 110.307 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.433 ' O ' ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -43.2 166.97 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 170.77 19.68 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.474 1.776 . . . . 0.0 110.991 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.467 ' CG2' ' HB3' ' A' ' 44' ' ' LEU . 35.3 m -110.37 133.46 55.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.3 128.66 34.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.975 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.648 HD11 HD12 ' A' ' 39' ' ' LEU . 37.1 mt -89.24 41.87 1.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -86.69 106.77 17.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.56 15.17 3.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -79.23 172.51 13.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -148.96 147.63 28.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 110.29 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.422 ' C ' ' CD1' ' A' ' 109' ' ' LEU . . . -121.28 116.18 3.07 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.483 1.114 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.32 160.33 21.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 0.728 . . . . 0.0 110.053 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.59 HG22 ' HE3' ' A' ' 105' ' ' MET . 3.5 t -100.31 140.03 20.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.538 ' HB3' ' O ' ' A' ' 84' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.546 ' O ' HG23 ' A' ' 84' ' ' VAL . 70.7 mttt . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 40.74 80.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.568 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.668 HG13 ' O ' ' A' ' 97' ' ' PHE . 85.0 t -140.7 137.68 35.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.329 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.603 ' CZ ' ' HB2' ' A' ' 97' ' ' PHE . 11.4 p90 -123.6 135.34 53.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.433 ' HE3' HD21 ' A' ' 96' ' ' LEU . 26.7 ttmt -86.41 116.0 24.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.659 HD13 HG11 ' A' ' 112' ' ' VAL . 26.1 tp -95.4 97.95 10.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -95.5 112.97 4.51 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.531 1.144 . . . . 0.0 111.029 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.43 HD12 ' HB3' ' A' ' 93' ' ' LYS . 14.7 mt -66.25 -126.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 0.742 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.571 ' O ' ' CB ' ' A' ' 91' ' ' ASP . 1.5 pt20 -85.84 22.34 1.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 110.257 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.571 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 6.0 t0 88.39 -18.67 0.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLY . . . . . 0.466 ' O ' ' HA ' ' A' ' 22' ' ' ALA . . . -93.19 10.05 74.0 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LYS . . . . . 0.43 ' HB3' HD12 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -163.15 124.29 2.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 0.779 . . . . 0.0 109.284 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -137.22 125.43 23.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 110.33 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' TYR . . . . . 0.458 ' C ' ' OE2' ' A' ' 19' ' ' GLU . 93.1 m-85 -122.13 154.67 37.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.479 ' N ' ' OE2' ' A' ' 19' ' ' GLU . 19.8 mt -115.04 107.77 15.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.668 ' O ' HG13 ' A' ' 84' ' ' VAL . 97.0 m-85 -106.99 140.24 40.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 111.008 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.611 ' CB ' HG22 ' A' ' 84' ' ' VAL . 2.3 tt0 -116.67 121.52 41.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 110.358 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.573 ' HB1' ' HB3' ' A' ' 104' ' ' GLU . . . -86.42 173.63 9.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.3 pttp -75.75 -31.27 59.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -159.38 -175.81 5.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -62.96 -25.57 68.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.71 -71.79 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.573 ' HB3' ' HB1' ' A' ' 99' ' ' ALA . 0.6 OUTLIER -40.16 -38.24 0.73 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.315 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.59 ' HE3' HG22 ' A' ' 74' ' ' VAL . 5.4 ttp -69.93 -69.14 0.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 111.029 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.1 t -39.48 -45.93 1.62 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 110.034 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' SER . . . . . 0.739 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.3 OUTLIER -58.36 -54.91 41.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.976 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 108' ' ' TRP . . . . . 0.55 ' CH2' ' HB3' ' A' ' 37' ' ' CYS . 17.4 m95 -42.63 -62.69 0.92 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 107.998 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.582 HD21 ' CG ' ' A' ' 85' ' ' PHE . 0.4 OUTLIER -46.71 -50.03 18.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.4 ' HB3' ' O ' ' A' ' 107' ' ' SER . 51.5 ttt180 -56.93 -33.77 67.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.277 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.994 HG12 HD22 ' A' ' 39' ' ' LEU . 21.9 t -80.09 -57.91 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.659 HG11 HD13 ' A' ' 87' ' ' LEU . 86.7 t -47.22 -38.72 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.256 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -72.02 -37.02 69.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.531 ' HB1' ' CD ' ' A' ' 8' ' ' GLU . . . -71.32 -20.06 62.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.67 ' HB2' HD21 ' A' ' 39' ' ' LEU . . . -87.61 -45.51 10.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 34.9 mt -53.55 -53.02 27.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -54.77 -40.68 69.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.973 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.2 t -161.49 -58.42 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 0.774 . . . . 0.0 110.029 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.76 143.59 22.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.005 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.89 -114.04 4.66 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.492 1.12 . . . . 0.0 111.023 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.68 100.0 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 0.791 . . . . 0.0 109.97 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.27 -64.38 0.84 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 110.006 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.27 114.18 0.32 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.525 1.141 . . . . 0.0 111.037 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.466 ' HB2' ' CB ' ' A' ' 114' ' ' ALA . 6.0 mm-40 -111.04 108.67 18.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 0.763 . . . . 0.0 110.301 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -94.96 148.84 21.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.733 ' CB ' HG11 ' A' ' 111' ' ' VAL . 5.0 ttt -157.49 132.99 9.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 111.005 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.451 ' N ' ' CD ' ' A' ' 11' ' ' GLU . 1.4 pm0 -150.69 132.93 15.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -171.57 175.34 45.07 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.713 ' O ' HD12 ' A' ' 14' ' ' LEU . 1.1 mmt -76.89 119.84 21.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 0.748 . . . . 0.0 110.997 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.713 HD12 ' O ' ' A' ' 13' ' ' MET . 1.8 mp -138.32 153.99 48.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.422 ' O ' ' O ' ' A' ' 96' ' ' LEU . 0.1 OUTLIER -94.84 96.24 9.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 108.322 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.572 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 14.4 ttp180 -88.89 120.62 30.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.287 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.514 ' HD2' ' CE2' ' A' ' 32' ' ' TRP . 3.7 tttp -124.5 97.14 5.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.461 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 43.8 tt0 -62.29 109.32 1.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.331 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -94.72 -60.51 1.69 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 110.324 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 3.0 mtp -105.22 130.17 53.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.946 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -98.75 -10.6 22.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.298 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -177.56 166.34 2.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 109.291 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -43.22 123.48 2.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 48.19 27.74 5.59 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.479 1.112 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.494 ' CE ' ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -114.55 126.27 54.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 0.798 . . . . 0.0 109.317 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.494 ' O ' ' CE ' ' A' ' 25' ' ' LYS . 1.6 pttt -86.28 122.49 30.33 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.461 ' CB ' ' HG2' ' A' ' 18' ' ' GLN . . . -53.61 -173.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 29' ' ' ASN . . . -108.65 -75.71 0.63 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 28' ' ' ALA . 13.2 t-20 -39.13 -67.58 0.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 77.6 mtm180 47.44 37.35 6.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.22 134.97 55.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.992 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.514 ' CE2' ' HD2' ' A' ' 17' ' ' LYS . 86.4 m95 -65.29 123.88 20.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.157 . . . . 0.0 108.027 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.461 ' O ' HG23 ' A' ' 35' ' ' VAL . 8.6 mt-30 -147.28 139.5 24.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -70.6 103.8 2.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.475 ' CG1' ' HB3' ' A' ' 46' ' ' PHE . 21.4 t -119.69 122.51 68.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.488 ' CD2' ' HB2' ' A' ' 53' ' ' ALA . 13.7 t80 -72.02 110.55 6.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.622 ' SG ' HD11 ' A' ' 44' ' ' LEU . 0.5 OUTLIER -76.82 129.36 36.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 108.288 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 94.0 t -129.11 105.71 13.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.939 HD22 HG12 ' A' ' 111' ' ' VAL . 0.8 OUTLIER -97.85 136.16 38.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.24 142.19 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.341 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 60.12 14.45 4.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.296 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.576 ' HA2' ' HB1' ' A' ' 115' ' ' ALA . . . 82.73 30.46 32.43 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.46 1.1 . . . . 0.0 110.989 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.79 133.63 40.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 0.77 . . . . 0.0 109.978 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.622 HD11 ' SG ' ' A' ' 37' ' ' CYS . 41.0 tp -95.88 113.86 25.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -101.02 159.28 18.91 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.539 1.15 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.475 ' HB3' ' CG1' ' A' ' 35' ' ' VAL . 52.3 m-85 -124.94 126.53 45.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 0.79 . . . . 0.0 111.03 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.414 ' CD1' ' N ' ' A' ' 47' ' ' TYR . 19.8 m-85 -137.38 158.12 45.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.953 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.43 -62.53 1.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -156.04 -175.87 5.66 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.518 1.136 . . . . 0.0 109.232 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.03 -15.09 28.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.424 ' HD2' ' N ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -80.4 -26.69 38.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -96.18 -15.97 21.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.488 ' HB2' ' CD2' ' A' ' 36' ' ' TYR . . . -80.13 -36.59 35.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 45.3 t -83.13 -16.77 45.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.032 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.99 5.07 42.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 53.73 33.64 49.3 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.504 1.128 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 89.5 t -100.32 117.9 62.21 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.461 0.742 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 137.08 21.28 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.49 1.784 . . . . 0.0 111.012 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 17.7 t80 -38.38 -65.26 0.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 111.045 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.9 m80 -125.51 1.59 7.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.585 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 108.0 9.27 28.38 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.462 1.101 . . . . 0.0 110.995 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -73.89 132.75 42.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 0.764 . . . . 0.0 110.308 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -80.86 172.05 10.78 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.355 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 134.73 18.18 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.511 1.795 . . . . 0.0 111.028 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.483 ' HB ' HD11 ' A' ' 89' ' ' LEU . 11.4 m -81.21 122.76 36.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.4 p -65.32 128.85 37.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.001 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.511 HD11 HD12 ' A' ' 39' ' ' LEU . 6.6 mt -92.97 34.68 1.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.454 ' O ' ' CB ' ' A' ' 69' ' ' ARG . . . -82.65 100.69 10.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.454 ' CB ' ' O ' ' A' ' 68' ' ' ALA . 0.1 OUTLIER 80.37 22.81 0.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.281 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -88.29 158.78 18.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.71 ' O ' HD12 ' A' ' 87' ' ' LEU . 0.9 OUTLIER -115.91 142.39 46.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 110.273 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -134.77 111.3 0.91 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 73.4 m -136.73 160.64 38.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 0.764 . . . . 0.0 109.987 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.635 HG22 ' CE ' ' A' ' 105' ' ' MET . 53.6 t -67.59 159.96 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -94.5 72.65 3.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.569 ' CE2' ' HB ' ' A' ' 74' ' ' VAL . 54.3 m-85 -76.8 83.92 3.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 111.014 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.404 ' O ' ' N ' ' A' ' 79' ' ' ARG . 0.1 OUTLIER 171.52 -48.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.11 . . . . 0.0 109.35 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.471 ' CZ ' ' CG ' ' A' ' 81' ' ' ARG . 0.4 OUTLIER -41.95 96.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.978 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.404 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.6 OUTLIER -93.3 68.02 4.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.244 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.24 -55.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.471 ' CG ' ' CZ ' ' A' ' 78' ' ' TYR . 22.8 mmt180 -90.88 165.7 13.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.276 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 37.6 mttm -126.4 154.8 43.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.413 ' HA ' ' SD ' ' A' ' 105' ' ' MET . 0.0 OUTLIER 51.4 65.81 1.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.563 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.575 HG13 ' O ' ' A' ' 97' ' ' PHE . 53.4 t -130.91 140.63 48.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.61 ' CZ ' ' HB2' ' A' ' 97' ' ' PHE . 3.2 p90 -131.87 143.29 50.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.976 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 17.8 ttmt -95.99 131.09 42.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.71 HD12 ' O ' ' A' ' 71' ' ' GLN . 41.3 tp -114.17 114.29 25.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.349 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -108.39 114.82 4.23 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.536 1.148 . . . . 0.0 111.032 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.483 HD11 ' HB ' ' A' ' 65' ' ' VAL . 5.2 mt -73.3 -173.89 1.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 0.786 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -95.09 -17.39 21.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 110.323 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.414 ' HB3' ' NZ ' ' A' ' 93' ' ' LYS . 4.4 t0 -86.49 3.83 42.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.253 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 87.72 24.01 37.18 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.561 1.163 . . . . 0.0 111.015 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.414 ' NZ ' ' HB3' ' A' ' 91' ' ' ASP . 0.0 OUTLIER -96.12 122.36 38.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 0.782 . . . . 0.0 109.306 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -119.7 124.4 46.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.276 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -121.87 154.53 36.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.948 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.422 ' O ' ' O ' ' A' ' 15' ' ' CYS . 16.8 mt -118.94 122.84 43.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.61 ' HB2' ' CZ ' ' A' ' 85' ' ' PHE . 96.4 m-85 -120.38 143.54 48.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.574 ' HA ' HG22 ' A' ' 84' ' ' VAL . 29.3 tt0 -119.52 109.45 15.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.738 ' HB1' ' HB3' ' A' ' 104' ' ' GLU . . . -73.11 174.56 7.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.23 -26.41 42.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -164.71 -177.19 4.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -59.79 -27.11 66.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.122 . . . . 0.0 110.286 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.41 -71.69 0.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.738 ' HB3' ' HB1' ' A' ' 99' ' ' ALA . 0.6 OUTLIER -40.22 -46.35 2.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.341 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.635 ' CE ' HG22 ' A' ' 74' ' ' VAL . 12.0 ttp -61.96 -68.4 0.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.989 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.1 t -44.43 -49.84 9.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 110.023 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.753 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.3 OUTLIER -52.73 -56.15 17.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.971 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.576 ' CD1' ' HE1' ' A' ' 10' ' ' MET . 24.6 m95 -42.24 -63.9 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.59 HD21 ' CG ' ' A' ' 85' ' ' PHE . 0.8 OUTLIER -43.33 -54.05 4.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 34.5 ttt-85 -53.47 -34.14 56.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.285 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.939 HG12 HD22 ' A' ' 39' ' ' LEU . 18.8 t -80.58 -59.21 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.142 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.45 HG11 HD13 ' A' ' 87' ' ' LEU . 98.9 t -47.47 -36.66 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -72.46 -35.52 68.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.466 ' CB ' ' HB2' ' A' ' 8' ' ' GLU . . . -71.64 -16.44 62.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.576 ' HB1' ' HA2' ' A' ' 42' ' ' GLY . . . -93.24 -44.58 8.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 45.2 mt -55.76 -58.17 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.29 -63.24 1.2 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.313 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.94 -59.04 3.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 110.034 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 99.18 162.14 29.51 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.527 1.142 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 75.71 3.6 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.49 1.784 . . . . 0.0 111.027 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 23.8 m -65.64 134.18 52.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.05 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 77.6 p -135.49 162.79 31.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.976 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.493 1.121 . . . . 0.0 110.969 179.97 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t -146.18 84.96 1.65 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 0.762 . . . . 0.0 110.018 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.5 t -98.37 109.41 22.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 110.029 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.65 -167.69 11.51 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.47 1.106 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.48 139.05 31.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 0.765 . . . . 0.0 109.967 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.1 p -51.45 -57.96 7.58 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.562 1.163 . . . . 0.0 110.001 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.44 152.19 5.58 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -85.83 102.45 13.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 0.743 . . . . 0.0 110.315 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.442 ' HA ' HD23 ' A' ' 39' ' ' LEU . 4.8 pp0? -97.84 161.95 13.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.673 ' CB ' HG11 ' A' ' 111' ' ' VAL . 8.0 ttt -166.9 128.07 1.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.424 1.078 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.458 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 8.6 pt-20 -144.92 125.68 14.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.322 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.01 159.36 32.72 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.517 1.136 . . . . 0.0 110.968 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.702 ' O ' HD12 ' A' ' 14' ' ' LEU . 1.9 mmt -58.41 122.39 13.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 0.788 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.732 HD23 ' HB3' ' A' ' 97' ' ' PHE . 1.5 mp -142.34 155.14 45.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.423 ' O ' ' O ' ' A' ' 96' ' ' LEU . 0.8 OUTLIER -97.03 96.17 8.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 108.289 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.513 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 10.6 ttp180 -88.77 120.42 30.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 110.241 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.482 ' HD2' ' CE2' ' A' ' 32' ' ' TRP . 3.3 tttt -124.25 99.54 6.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.367 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.463 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 17.2 tt0 -61.61 109.42 1.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.347 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -85.46 -61.42 1.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.321 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 80.2 mmm -118.53 145.66 45.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -103.12 -12.76 17.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -176.16 169.78 2.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.357 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -51.42 120.65 5.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 110.99 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 60.11 14.27 31.48 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.524 1.14 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.479 ' CE ' ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -107.95 129.39 55.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 0.777 . . . . 0.0 109.328 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.479 ' O ' ' CE ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -94.79 142.88 26.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.463 ' CB ' ' HG2' ' A' ' 18' ' ' GLN . . . -67.66 159.75 29.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.22 -75.4 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -63.78 -68.29 0.36 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.425 ' CB ' ' CZ ' ' A' ' 30' ' ' ARG . 1.5 ttm105 65.26 46.58 2.62 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.526 1.141 . . . . 0.0 110.286 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.5 t -120.21 169.27 10.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.974 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.482 ' CE2' ' HD2' ' A' ' 17' ' ' LYS . 77.7 m95 -85.73 128.51 34.81 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.529 ' O ' HG23 ' A' ' 35' ' ' VAL . 45.6 mt-30 -147.28 123.0 10.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 110.304 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -63.94 103.56 0.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.599 HG11 ' HB3' ' A' ' 46' ' ' PHE . 61.8 t -121.06 127.12 75.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.536 ' CE1' ' HB2' ' A' ' 50' ' ' ALA . 53.2 t80 -70.73 109.99 5.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 111.0 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.772 ' SG ' HD11 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -74.52 131.22 40.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 108.315 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 84.4 t -129.95 105.03 11.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 1.051 HD22 HG12 ' A' ' 111' ' ' VAL . 0.7 OUTLIER -96.49 137.14 36.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -172.96 145.41 1.39 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 110.293 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 50.97 22.4 1.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.329 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.711 ' HA2' ' HB1' ' A' ' 115' ' ' ALA . . . 75.63 38.01 38.63 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.478 1.111 . . . . 0.0 111.043 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.9 m -140.81 128.46 21.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 0.757 . . . . 0.0 109.996 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.772 HD11 ' SG ' ' A' ' 37' ' ' CYS . 30.3 tp -91.35 112.95 25.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.35 155.7 18.5 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.489 1.118 . . . . 0.0 110.969 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.599 ' HB3' HG11 ' A' ' 35' ' ' VAL . 42.7 m-85 -118.56 140.83 49.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 0.77 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.589 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 32.8 m-85 -150.31 167.93 25.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.095 . . . . 0.0 111.005 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.4 ttpt -60.31 -61.39 2.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.256 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.556 ' H ' ' HB3' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -152.98 -176.54 5.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.288 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.536 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . . . -64.01 -16.7 62.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.0 mmtt -86.58 -18.72 30.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.556 ' HB3' ' H ' ' A' ' 49' ' ' ASP . . . -94.76 -22.63 17.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.12 -47.77 27.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.243 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.42 -37.12 86.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 110.025 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -78.13 -5.49 51.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 63.25 33.44 87.25 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.486 1.116 . . . . 0.0 110.974 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 86.9 t -97.77 115.96 65.75 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.479 0.752 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 132.11 15.06 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.504 1.791 . . . . 0.0 110.982 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -44.86 -63.88 0.82 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -124.56 43.67 2.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.61 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 52.65 23.85 15.98 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.452 1.095 . . . . 0.0 110.979 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -83.76 160.8 21.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 0.751 . . . . 0.0 110.317 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -104.04 169.02 7.77 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 136.52 20.34 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.481 1.78 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.447 ' HB ' HD11 ' A' ' 89' ' ' LEU . 16.1 m -82.63 123.47 38.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.3 t -66.59 128.07 34.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.024 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.599 HD11 HD12 ' A' ' 39' ' ' LEU . 5.4 mt -91.8 36.07 0.96 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.13 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -85.28 111.35 19.79 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 71.86 28.97 2.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 110.312 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -98.71 160.01 14.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.614 ' O ' HD12 ' A' ' 87' ' ' LEU . 5.5 pt20 -114.22 144.8 42.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 110.337 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -134.54 108.82 0.74 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.498 1.124 . . . . 0.0 110.975 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 69.6 m -135.69 160.97 36.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 0.757 . . . . 0.0 110.008 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.8 HG22 ' HE3' ' A' ' 105' ' ' MET . 72.9 t -70.84 160.23 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.256 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.411 ' N ' ' HA ' ' A' ' 85' ' ' PHE . . . -108.27 75.23 0.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.349 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -69.91 -44.02 70.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 111.026 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -43.55 -54.82 4.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -39.29 99.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 111.022 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.8 mtm180 -98.3 79.1 2.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.263 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 178.31 -60.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 3.0 mtt85 -83.82 174.8 10.11 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.514 1.134 . . . . 0.0 110.235 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 44.7 mttt -135.4 154.19 51.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.405 ' HA ' ' SD ' ' A' ' 105' ' ' MET . 0.2 OUTLIER 54.26 59.62 4.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.642 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.475 HG22 ' HA ' ' A' ' 98' ' ' GLN . 96.7 t -129.85 137.72 55.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.602 ' CZ ' ' HB2' ' A' ' 97' ' ' PHE . 3.8 p90 -130.4 144.31 51.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.428 ' HA ' HD23 ' A' ' 96' ' ' LEU . 22.6 ttmt -92.25 143.18 26.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.614 HD12 ' O ' ' A' ' 71' ' ' GLN . 39.8 tp -128.45 105.64 8.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -103.02 114.84 4.99 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.486 1.116 . . . . 0.0 110.973 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.447 HD11 ' HB ' ' A' ' 65' ' ' VAL . 4.9 mt -72.92 -172.1 0.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 0.762 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -96.62 -12.18 24.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.3 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -95.7 20.24 10.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.259 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 70.26 31.69 68.87 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.478 1.112 . . . . 0.0 110.957 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.02 114.76 29.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 0.741 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -110.09 130.62 55.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.246 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -124.62 161.35 26.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 111.001 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 96' ' ' LEU . 19.7 mt -131.25 121.87 25.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.103 . . . . 0.0 109.244 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.732 ' HB3' HD23 ' A' ' 14' ' ' LEU . 96.4 m-85 -122.91 134.66 54.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 0.0 110.974 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.475 ' HA ' HG22 ' A' ' 84' ' ' VAL . 27.3 tt0 -108.88 110.18 21.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 110.306 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.644 ' HB1' ' HB3' ' A' ' 104' ' ' GLU . . . -73.18 168.79 18.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 23.5 pttt -74.07 -26.3 60.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -166.76 172.95 9.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -50.29 -36.33 31.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.302 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.79 -70.5 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.644 ' HB3' ' HB1' ' A' ' 99' ' ' ALA . 2.6 tp10 -40.68 -43.46 1.95 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.343 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.8 ' HE3' HG22 ' A' ' 74' ' ' VAL . 11.1 ttp -64.37 -68.5 0.35 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.86 -46.2 3.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.038 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.732 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.3 OUTLIER -57.5 -55.89 28.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.046 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.565 ' CH2' ' HB3' ' A' ' 37' ' ' CYS . 27.9 m95 -43.17 -63.35 0.83 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 107.992 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.592 HD21 ' CG ' ' A' ' 85' ' ' PHE . 0.9 OUTLIER -43.44 -52.16 6.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.403 ' HB3' ' O ' ' A' ' 107' ' ' SER . 37.3 ttt180 -55.78 -35.58 66.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 1.051 HG12 HD22 ' A' ' 39' ' ' LEU . 21.2 t -78.69 -58.87 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.164 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.484 ' N ' ' O ' ' A' ' 108' ' ' TRP . 94.9 t -48.14 -38.17 7.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.125 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -71.52 -36.37 71.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 111' ' ' VAL . . . -69.93 -16.22 63.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.711 ' HB1' ' HA2' ' A' ' 42' ' ' GLY . . . -93.29 -48.47 6.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 38.8 mt -51.62 -57.84 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -54.22 -60.39 3.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 66.4 p -59.3 94.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.044 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 169.47 -135.02 3.39 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.543 1.152 . . . . 0.0 110.986 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 75.64 3.63 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.522 1.801 . . . . 0.0 111.029 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.05 151.41 21.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.956 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -131.1 -58.54 1.01 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.007 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.496 1.122 . . . . 0.0 111.024 -179.976 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.25 -57.89 1.38 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 0.751 . . . . 0.0 109.978 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.59 150.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.999 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 57.31 -141.97 43.24 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.512 1.132 . . . . 0.0 110.956 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 p 55.91 166.76 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 0.762 . . . . 0.0 110.027 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -170.5 -57.81 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.995 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.33 108.51 0.22 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.455 1.097 . . . . 0.0 111.047 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.441 ' HB2' ' CB ' ' A' ' 114' ' ' ALA . 5.3 mm-40 -121.25 111.16 17.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 0.779 . . . . 0.0 110.297 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -95.56 152.38 18.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 110.292 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.643 ' CB ' HG11 ' A' ' 111' ' ' VAL . 8.0 ttt -159.23 128.32 5.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 111.028 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.475 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 13.2 pt-20 -143.47 123.91 13.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.5 154.26 24.64 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.491 1.12 . . . . 0.0 110.962 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.649 ' O ' HD12 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -58.41 123.16 15.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 0.787 . . . . 0.0 110.969 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.649 HD12 ' O ' ' A' ' 13' ' ' MET . 1.4 mp -140.57 155.08 46.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.347 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.43 ' O ' ' HA ' ' A' ' 97' ' ' PHE . 0.5 OUTLIER -94.01 95.87 9.32 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 108.308 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.534 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 9.8 ttp180 -88.54 115.83 26.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.503 ' HD2' ' CE2' ' A' ' 32' ' ' TRP . 4.0 tttt -122.92 104.7 9.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.6 ' OE1' ' CE1' ' A' ' 95' ' ' TYR . 7.6 tp60 -65.05 140.11 58.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -124.5 -50.12 1.76 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.449 ' O ' ' NE2' ' A' ' 18' ' ' GLN . 89.5 mmm -128.56 141.44 51.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 110.967 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -106.08 -10.61 16.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.264 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . -178.38 154.57 0.82 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -43.85 111.32 0.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 111.018 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.85 -35.3 3.54 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.505 1.128 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.477 ' CE ' ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -66.06 123.4 19.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 0.744 . . . . 0.0 109.282 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.477 ' O ' ' CE ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -91.78 139.56 30.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.469 ' CB ' ' HG3' ' A' ' 18' ' ' GLN . . . -66.9 125.93 27.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.63 -72.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -106.17 121.93 45.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 43.0 mtm180 -113.04 65.59 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.281 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.1 m -106.56 164.12 12.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.028 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.503 ' CE2' ' HD2' ' A' ' 17' ' ' LYS . 76.1 m95 -92.56 129.65 38.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 108.044 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.585 ' O ' HG23 ' A' ' 35' ' ' VAL . 9.6 mp0 -145.97 122.05 10.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.302 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -62.39 103.31 0.39 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 33' ' ' GLN . 59.5 t -120.04 126.53 75.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.682 ' CE1' ' HB2' ' A' ' 50' ' ' ALA . 21.0 t80 -70.32 114.28 8.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 111.001 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.695 ' SG ' HD11 ' A' ' 44' ' ' LEU . 0.3 OUTLIER -79.37 128.64 33.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 108.29 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 60.1 t -126.93 105.68 14.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 1.047 HD22 HG12 ' A' ' 111' ' ' VAL . 0.8 OUTLIER -97.12 136.74 37.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.095 . . . . 0.0 109.331 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -172.77 140.86 1.01 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 110.25 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 54.95 24.38 5.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.718 ' HA2' ' HB1' ' A' ' 115' ' ' ALA . . . 74.02 35.27 54.13 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.567 1.167 . . . . 0.0 110.944 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.3 m -137.69 128.45 27.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 0.775 . . . . 0.0 109.996 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.695 HD11 ' SG ' ' A' ' 37' ' ' CYS . 32.8 tp -92.8 112.23 24.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -104.09 148.81 16.98 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.534 1.146 . . . . 0.0 111.042 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.542 ' HB3' HG11 ' A' ' 35' ' ' VAL . 42.3 m-85 -110.58 133.6 53.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 0.79 . . . . 0.0 110.974 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.433 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 33.6 m-85 -141.57 153.15 44.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.423 1.077 . . . . 0.0 111.034 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.0 tptt -44.94 -65.65 0.5 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.472 ' HA ' ' CE ' ' A' ' 13' ' ' MET . 0.2 OUTLIER -151.04 -175.82 5.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 109.327 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.682 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . . . -62.75 -13.56 34.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.437 ' HD2' ' N ' ' A' ' 51' ' ' LYS . 11.5 mptt -82.75 -19.54 37.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.402 ' HB1' ' O ' ' A' ' 57' ' ' VAL . . . -97.55 -26.95 14.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.64 -31.14 70.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.37 -44.73 15.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.021 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.29 -5.96 42.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 63.09 32.94 85.85 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.483 1.114 . . . . 0.0 111.029 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.402 ' O ' ' HB1' ' A' ' 52' ' ' ALA . 92.6 t -97.39 119.55 62.7 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.462 0.742 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 134.96 18.54 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.492 1.785 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -45.19 -65.26 0.56 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.943 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -124.81 44.05 2.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.592 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 53.79 20.93 14.28 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.493 1.121 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -84.33 134.99 34.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 0.749 . . . . 0.0 110.261 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -77.65 169.39 21.28 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 141.49 26.67 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.525 1.803 . . . . 0.0 111.011 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 20.7 m -83.75 125.34 40.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.48 124.0 23.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 110.014 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.539 HD11 HD12 ' A' ' 39' ' ' LEU . 6.2 mt -87.64 45.41 1.27 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -83.56 120.16 25.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.3 mtt85 57.9 16.66 3.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.341 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.47 ' O ' HD13 ' A' ' 116' ' ' ILE . . . -80.34 155.56 27.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -125.88 142.19 51.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.274 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -127.3 123.95 4.76 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.496 1.123 . . . . 0.0 111.0 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 86' ' ' LYS . 11.6 t -136.39 160.99 37.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 110.027 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.76 HG22 ' HE3' ' A' ' 105' ' ' MET . 69.1 t -70.37 157.02 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -102.16 66.56 1.02 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -52.61 -46.55 67.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.991 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 78' ' ' TYR . 1.3 m-20 -41.33 -62.44 0.85 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.518 ' CD2' HG11 ' A' ' 84' ' ' VAL . 0.1 OUTLIER -37.27 98.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 110.956 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.19 -13.61 26.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.269 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.0 mttt -77.29 -81.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.501 ' HB2' ' CE1' ' A' ' 78' ' ' TYR . 0.9 OUTLIER -67.78 -177.71 0.83 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.344 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 20.5 mttt -136.75 158.98 43.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 52.43 66.7 1.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.609 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.518 HG11 ' CD2' ' A' ' 78' ' ' TYR . 91.9 t -133.65 138.18 51.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.589 ' CZ ' ' HB2' ' A' ' 97' ' ' PHE . 4.8 p90 -130.67 144.37 51.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.541 ' HE2' HD21 ' A' ' 96' ' ' LEU . 6.4 ttmt -97.06 128.8 44.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.573 HD13 HG11 ' A' ' 112' ' ' VAL . 68.2 tp -107.29 101.42 10.8 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.145 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -93.62 114.58 4.75 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.561 1.163 . . . . 0.0 110.995 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.479 ' HB2' ' CB ' ' A' ' 93' ' ' LYS . 5.6 mt -75.0 175.85 7.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 0.764 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -83.68 -14.98 50.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.311 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -104.29 43.54 1.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 50.06 36.67 28.43 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.486 1.116 . . . . 0.0 111.035 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.479 ' CB ' ' HB2' ' A' ' 89' ' ' LEU . 0.2 OUTLIER -106.86 98.14 7.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 0.778 . . . . 0.0 109.269 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -98.84 138.47 35.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.232 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.6 ' CE1' ' OE1' ' A' ' 18' ' ' GLN . 46.2 m-85 -134.39 151.37 51.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.975 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.541 HD21 ' HE2' ' A' ' 86' ' ' LYS . 15.0 mt -116.16 124.78 51.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.618 ' HB3' HD23 ' A' ' 14' ' ' LEU . 98.5 m-85 -127.43 127.02 43.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.46 ' HG3' HG22 ' A' ' 84' ' ' VAL . 32.1 tt0 -103.95 112.0 24.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.254 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.425 ' HA ' HD11 ' A' ' 14' ' ' LEU . . . -79.86 178.38 8.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.1 ptpp? -78.23 -38.19 43.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -157.14 -176.37 5.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -56.94 -41.36 78.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 110.256 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.81 -71.55 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -41.59 -43.45 2.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.76 ' HE3' HG22 ' A' ' 74' ' ' VAL . 15.7 ttp -66.59 -68.07 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.933 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -41.43 -47.22 3.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.984 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.767 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.3 OUTLIER -55.65 -56.03 25.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.002 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.567 ' CH2' ' HB3' ' A' ' 37' ' ' CYS . 26.4 m95 -43.41 -64.2 0.69 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 0.0 107.999 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.581 HD21 ' CG ' ' A' ' 85' ' ' PHE . 1.1 mm? -44.02 -51.08 8.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.405 ' HB3' ' O ' ' A' ' 107' ' ' SER . 43.8 ttt180 -56.58 -36.22 69.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 1.047 HG12 HD22 ' A' ' 39' ' ' LEU . 21.3 t -78.11 -60.08 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.573 HG11 HD13 ' A' ' 87' ' ' LEU . 94.3 t -46.44 -38.26 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -71.36 -36.85 71.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 111' ' ' VAL . . . -69.14 -16.37 63.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.718 ' HB1' ' HA2' ' A' ' 42' ' ' GLY . . . -93.03 -47.46 6.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.47 HD13 ' O ' ' A' ' 70' ' ' ALA . 30.6 mt -52.33 -60.27 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -50.32 -63.29 1.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 119' ' ' GLY . 0.4 OUTLIER -52.42 101.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.984 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 118' ' ' SER . . . -35.87 130.51 0.81 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.489 1.118 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 176.94 9.24 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.469 1.773 . . . . 0.0 111.069 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.6 t -90.78 131.92 36.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.017 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 10.2 p -80.01 126.42 31.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.026 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.468 1.105 . . . . 0.0 111.025 -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.94 167.75 29.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 0.764 . . . . 0.0 109.989 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -112.39 168.26 9.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.975 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.37 -132.77 2.48 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.465 1.103 . . . . 0.0 111.016 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.9 m 61.31 76.69 0.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 110.007 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.53 150.97 0.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.946 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.64 -154.29 24.32 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -87.37 103.69 15.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 0.761 . . . . 0.0 110.307 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.457 ' HA ' HD23 ' A' ' 39' ' ' LEU . 4.2 mt-30 -104.26 151.58 23.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.606 ' HE1' ' CD1' ' A' ' 108' ' ' TRP . 6.7 ttt -153.5 128.31 9.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.957 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.453 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 11.8 pt-20 -144.66 123.01 12.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.339 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.47 160.87 34.57 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.729 ' O ' HD12 ' A' ' 14' ' ' LEU . 2.2 mmt -58.78 124.82 21.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 0.763 . . . . 0.0 110.971 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.883 HD23 ' HB3' ' A' ' 97' ' ' PHE . 1.5 mp -145.22 154.74 42.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 97' ' ' PHE . 0.5 OUTLIER -97.77 96.3 8.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 108.307 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.571 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 8.4 ttp180 -88.04 118.56 27.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.317 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.423 ' HD2' ' NE1' ' A' ' 32' ' ' TRP . 5.4 tttt -120.97 100.73 7.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.47 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 44.2 tt0 -67.1 110.02 3.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -85.39 -55.95 3.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.266 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.488 ' CE ' ' O ' ' A' ' 25' ' ' LYS . 86.6 mmm -121.34 160.48 23.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 111.069 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.533 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 5.9 tt0 -110.78 -12.34 14.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.533 ' HB2' ' O ' ' A' ' 21' ' ' GLU . . . 173.58 173.47 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -46.72 117.87 1.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 58.14 16.13 25.09 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.488 ' O ' ' CE ' ' A' ' 20' ' ' MET . 0.0 OUTLIER -103.5 126.9 50.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 0.749 . . . . 0.0 109.274 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.71 138.07 32.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 109.348 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.47 ' CB ' ' HG2' ' A' ' 18' ' ' GLN . . . -79.31 138.21 37.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.03 -71.15 0.09 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.46 1.1 . . . . 0.0 109.35 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -112.06 128.76 56.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.333 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.6 mtm180 -119.12 58.78 0.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.271 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.5 m -108.23 161.05 15.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.958 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.423 ' NE1' ' HD2' ' A' ' 17' ' ' LYS . 87.5 m95 -82.44 128.64 34.46 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.45 ' O ' HG23 ' A' ' 35' ' ' VAL . 46.1 mt-30 -142.38 137.25 30.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.264 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 13.8 p-10 -68.18 104.3 1.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.49 ' CG1' ' HB3' ' A' ' 46' ' ' PHE . 24.0 t -126.75 122.02 59.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.558 ' CE1' ' HB2' ' A' ' 50' ' ' ALA . 56.5 t80 -72.19 112.42 8.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 111.039 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.726 ' SG ' HD11 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -76.23 131.62 39.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 108.276 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 83.9 t -129.62 105.35 12.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 1.075 HD22 HG12 ' A' ' 111' ' ' VAL . 0.8 OUTLIER -95.73 135.94 36.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -172.32 144.52 1.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 110.313 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.89 20.46 1.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 110.301 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.73 ' HA2' ' HB1' ' A' ' 115' ' ' ALA . . . 78.22 31.67 46.26 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.466 1.104 . . . . 0.0 111.014 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 95.3 p -134.0 132.61 40.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 0.78 . . . . 0.0 110.051 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.726 HD11 ' SG ' ' A' ' 37' ' ' CYS . 36.8 tp -94.91 111.5 23.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -101.09 155.83 19.16 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.502 1.127 . . . . 0.0 110.978 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.574 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 41.5 m-85 -118.85 140.14 50.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 0.759 . . . . 0.0 110.997 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.574 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 25.6 m-85 -148.0 166.47 27.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.988 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -58.17 -60.04 4.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.565 ' H ' ' HB3' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -153.49 -175.88 5.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.558 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . . . -65.06 -18.48 65.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.8 mmtp -84.78 -18.33 35.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.565 ' HB3' ' H ' ' A' ' 49' ' ' ASP . . . -95.35 -19.92 19.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.45 -43.59 22.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.7 t -69.53 -27.27 65.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.987 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.1 -4.26 58.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.294 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 64.06 30.3 77.38 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.139 . . . . 0.0 111.016 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 58.2 t -97.96 116.46 65.67 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.506 0.768 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 139.82 24.54 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.487 1.782 . . . . 0.0 110.962 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -47.55 -65.48 0.56 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 111.03 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.5 ' CB ' ' OE2' ' A' ' 62' ' ' GLU . 1.6 m80 -123.28 22.98 9.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.578 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.33 -8.89 59.9 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.484 1.115 . . . . 0.0 111.051 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.5 ' OE2' ' CB ' ' A' ' 60' ' ' HIS . 0.0 OUTLIER -49.85 160.34 0.32 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 0.758 . . . . 0.0 110.26 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -104.44 168.77 8.05 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 137.97 22.4 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.521 1.801 . . . . 0.0 111.023 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.484 ' HB ' ' CD1' ' A' ' 89' ' ' LEU . 28.8 m -83.14 132.64 30.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 89.3 p -75.06 127.53 33.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.988 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.612 HD11 HD12 ' A' ' 39' ' ' LEU . 7.0 mt -92.6 30.34 1.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -78.19 114.09 16.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 66.46 21.28 10.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.09 . . . . 0.0 110.324 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.27 168.94 17.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.494 ' O ' HD12 ' A' ' 87' ' ' LEU . 6.7 pt20 -125.77 135.59 52.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.268 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -130.09 109.13 0.9 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.506 1.129 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 75.1 m -136.48 160.64 38.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 0.764 . . . . 0.0 109.981 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.885 HG22 ' HE3' ' A' ' 105' ' ' MET . 91.7 t -68.91 158.62 5.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 84' ' ' VAL . . . -105.76 53.41 0.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -43.95 -38.23 3.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.03 -47.74 71.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.41 ' OH ' ' CZ2' ' A' ' 32' ' ' TRP . 2.5 t80 -62.77 114.83 3.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.18 -23.21 12.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.58 -68.36 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 7.6 mpt_? -96.26 154.81 17.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.274 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.475 ' C ' ' CG ' ' A' ' 83' ' ' HIS . 27.1 mttm -99.42 150.1 22.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.475 ' CG ' ' C ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER 58.32 68.46 0.83 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.581 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.469 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 72.6 t -132.09 127.01 57.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.611 ' CG ' HD21 ' A' ' 109' ' ' LEU . 11.8 p90 -122.76 142.67 50.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.443 ' HA ' HD23 ' A' ' 96' ' ' LEU . 27.0 ttmt -89.19 149.53 23.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.251 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.494 HD12 ' O ' ' A' ' 71' ' ' GLN . 50.0 tp -134.03 99.22 4.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -98.35 114.65 5.07 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.484 ' CD1' ' HB ' ' A' ' 65' ' ' VAL . 6.2 mt -76.84 170.16 16.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 0.757 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -75.25 -15.35 60.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.316 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.01 11.34 18.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.097 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 76.35 22.81 72.38 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.524 1.14 . . . . 0.0 110.968 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -92.58 114.2 26.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 0.775 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -107.19 125.22 50.82 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.118 . . . . 0.0 110.263 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -124.84 159.99 29.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' A' ' 86' ' ' LYS . 60.1 mt -130.58 118.67 21.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.883 ' HB3' HD23 ' A' ' 14' ' ' LEU . 92.9 m-85 -119.17 129.78 55.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.944 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -101.54 109.97 21.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.32 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.642 ' HA ' HD11 ' A' ' 14' ' ' LEU . . . -71.27 174.14 6.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.408 ' O ' ' CG ' ' A' ' 101' ' ' ASP . 1.5 pttt -79.06 -24.63 43.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.408 ' CG ' ' O ' ' A' ' 100' ' ' LYS . 7.1 m-20 -171.43 -175.99 1.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -55.83 -46.24 78.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 110.291 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 104' ' ' GLU . . . -55.21 -71.39 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.425 1.078 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 103' ' ' ALA . 0.8 OUTLIER -38.77 -45.02 1.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.321 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.885 ' HE3' HG22 ' A' ' 74' ' ' VAL . 12.9 ttp -63.5 -68.03 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.64 -45.4 4.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 110.01 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.916 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.3 OUTLIER -56.26 -52.71 63.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.142 . . . . 0.0 109.997 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.606 ' CD1' ' HE1' ' A' ' 10' ' ' MET . 38.0 m95 -48.13 -67.45 0.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 107.945 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.611 HD21 ' CG ' ' A' ' 85' ' ' PHE . 1.3 mm? -40.34 -50.72 2.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -57.08 -42.13 80.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 110.298 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 1.075 HG12 HD22 ' A' ' 39' ' ' LEU . 16.7 t -72.9 -60.19 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 108' ' ' TRP . 79.6 t -46.16 -38.39 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.407 ' ND2' ' O ' ' A' ' 109' ' ' LEU . 16.9 m-80 -71.07 -37.39 72.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 109.334 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 111' ' ' VAL . . . -69.22 -15.7 63.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.73 ' HB1' ' HA2' ' A' ' 42' ' ' GLY . . . -93.34 -44.59 8.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 49.8 mt -55.35 -59.62 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -49.7 -62.92 1.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -44.29 -56.71 3.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.992 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 86.6 154.19 24.78 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.459 1.1 . . . . 0.0 110.956 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 71.9 4.86 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.542 1.812 . . . . 0.0 110.996 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 4.9 t -86.46 155.79 20.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.017 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.1 m -133.74 -61.12 0.81 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.992 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 O-C-N 124.468 1.105 . . . . 0.0 111.026 179.974 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.77 116.08 3.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 0.754 . . . . 0.0 109.985 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.9 m -152.9 114.78 4.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.993 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.69 108.61 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.479 1.112 . . . . 0.0 110.963 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 m -107.21 -59.58 1.8 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 0.796 . . . . 0.0 109.978 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -78.82 117.17 19.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 109.994 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.97 160.85 9.43 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -104.99 106.87 17.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 0.763 . . . . 0.0 110.327 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.63 ' HA ' HD23 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -95.28 148.9 21.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.291 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.696 ' HB2' HG11 ' A' ' 111' ' ' VAL . 4.2 ttt -147.97 133.7 18.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.457 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 6.4 pt-20 -145.49 131.32 19.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.574 1.171 . . . . 0.0 110.329 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -172.18 153.44 19.33 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.465 1.103 . . . . 0.0 111.021 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.45 ' O ' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -61.45 111.86 1.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 0.745 . . . . 0.0 110.993 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.644 HD23 ' HB3' ' A' ' 97' ' ' PHE . 1.3 mp -128.33 155.16 45.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.425 ' O ' ' O ' ' A' ' 96' ' ' LEU . 0.1 OUTLIER -92.49 95.41 9.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 0.0 108.3 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.567 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 15.3 ttp180 -88.75 121.95 31.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -124.28 108.18 11.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.257 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.556 ' HG2' ' HB1' ' A' ' 27' ' ' ALA . 2.6 tt0 -69.28 118.34 12.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.441 ' O ' ' NE ' ' A' ' 30' ' ' ARG . 4.3 mm-40 -102.02 -55.85 2.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.113 . . . . 0.0 110.299 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 89.3 mmm -121.55 155.34 35.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.468 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 11.7 tt0 -114.15 -11.26 12.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 110.311 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.551 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . . . 177.14 169.9 0.56 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -50.21 109.54 0.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 111.022 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.41 -1.01 58.65 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.499 1.124 . . . . 0.0 110.988 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.551 ' HB3' ' HB3' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -89.35 119.7 30.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 0.765 . . . . 0.0 109.305 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.2 140.23 29.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.556 ' HB1' ' HG2' ' A' ' 18' ' ' GLN . . . -76.03 127.66 33.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 27' ' ' ALA . . . -39.77 -63.72 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -114.62 119.81 38.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 109.352 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.441 ' NE ' ' O ' ' A' ' 19' ' ' GLU . 12.4 mtp180 -114.29 66.32 0.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.56 1.163 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.6 m -109.01 166.08 11.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.424 1.078 . . . . 0.0 110.046 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.432 ' CH2' ' HB3' ' A' ' 96' ' ' LEU . 73.1 m95 -91.95 129.86 37.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 108.013 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.499 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.6 mt-30 -147.04 124.53 11.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 110.309 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -62.41 103.8 0.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 33' ' ' GLN . 87.7 t -118.93 127.09 75.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.598 ' CE1' ' HB2' ' A' ' 50' ' ' ALA . 7.2 t80 -70.19 108.31 4.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.112 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.604 ' SG ' ' CE1' ' A' ' 97' ' ' PHE . 0.5 OUTLIER -77.66 130.17 36.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 108.325 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 44.4 t -127.89 105.32 13.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.855 HD22 HG12 ' A' ' 111' ' ' VAL . 0.6 OUTLIER -101.23 142.49 32.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.475 ' O ' ' N ' ' A' ' 42' ' ' GLY . 3.0 tpt180 -134.54 -149.19 0.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.328 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 33.1 ttt180 -64.21 72.77 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 40' ' ' ARG . . . 72.51 56.12 6.31 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.431 ' O ' ' HA ' ' A' ' 39' ' ' LEU . 64.8 p -160.44 166.39 29.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 0.746 . . . . 0.0 109.951 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.522 HD11 ' SG ' ' A' ' 37' ' ' CYS . 30.3 tp -150.49 101.14 2.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -103.27 145.92 16.37 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.466 1.104 . . . . 0.0 111.026 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.528 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 62.1 m-85 -104.27 144.82 31.1 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 0.779 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.528 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 20.6 m-85 -144.47 146.05 32.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.545 ' HA ' ' CD2' ' A' ' 59' ' ' TYR . 17.9 ttpt -37.47 -63.46 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.242 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 48' ' ' LYS . 7.4 m-20 -156.34 -175.55 5.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.157 . . . . 0.0 109.331 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.598 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . . . -63.31 -13.7 41.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.0 mmtm -82.86 -25.3 32.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.254 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -90.4 -31.25 16.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.6 -46.4 82.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.4 t -64.64 -29.82 70.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.964 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.481 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -92.48 6.91 45.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.256 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 50.73 39.86 39.75 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.504 1.127 . . . . 0.0 111.031 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 55' ' ' ALA . 93.0 t -107.05 116.58 58.22 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.551 0.795 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 140.46 25.53 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.442 1.759 . . . . 0.0 110.968 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.545 ' CD2' ' HA ' ' A' ' 48' ' ' LYS . 0.4 OUTLIER -65.28 113.72 4.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 110.98 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 11.4 m170 57.91 16.67 3.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.625 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.13 42.02 52.25 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.493 1.12 . . . . 0.0 110.997 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -87.68 120.64 29.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 0.74 . . . . 0.0 110.298 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -71.23 164.7 54.94 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 161.23 39.18 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.498 1.789 . . . . 0.0 111.035 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.434 HG22 ' O ' ' A' ' 44' ' ' LEU . 19.1 m -109.56 123.02 65.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.9 m -69.89 124.98 25.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.984 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.586 HD11 HD12 ' A' ' 39' ' ' LEU . 14.0 mt -86.01 47.61 1.48 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -85.01 106.37 16.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 13.0 mtm180 70.39 16.12 7.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 110.255 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.725 ' O ' HD13 ' A' ' 116' ' ' ILE . . . -80.88 150.75 28.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -132.17 150.39 52.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.284 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -134.32 130.92 5.73 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.508 1.13 . . . . 0.0 110.973 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 86' ' ' LYS . 1.5 t -137.21 154.0 50.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 0.755 . . . . 0.0 109.997 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.716 HG22 ' CE ' ' A' ' 105' ' ' MET . 73.8 t -62.53 145.86 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -92.12 57.34 3.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -43.02 -45.52 5.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.428 1.08 . . . . 0.0 110.992 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -46.55 -62.76 1.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.419 ' OH ' ' CZ2' ' A' ' 32' ' ' TRP . 0.7 OUTLIER -44.95 160.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 111.026 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.2 -45.49 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.265 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.42 -62.97 0.69 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.424 ' HB2' HG21 ' A' ' 84' ' ' VAL . 69.9 mtt-85 -92.23 124.84 36.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.331 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 25.2 mtpt -80.05 155.26 27.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 52.83 68.05 0.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 109.568 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.424 HG21 ' HB2' ' A' ' 81' ' ' ARG . 92.2 t -128.02 131.52 69.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.251 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.58 ' CZ ' ' HB2' ' A' ' 97' ' ' PHE . 6.2 p90 -127.45 145.01 50.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.452 ' CD ' ' HG2' ' A' ' 94' ' ' GLU . 14.7 ttmt -94.64 134.07 37.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.557 HD13 HG11 ' A' ' 112' ' ' VAL . 57.2 tp -116.67 105.43 12.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -98.26 115.82 5.39 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.47 1.107 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 5.6 mt -76.05 -174.93 2.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 0.735 . . . . 0.0 109.322 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -88.5 -22.7 23.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 110.316 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -92.17 35.3 1.0 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.271 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 55.28 38.63 68.89 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.556 1.16 . . . . 0.0 111.016 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.78 105.64 15.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 0.775 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.452 ' HG2' ' CD ' ' A' ' 86' ' ' LYS . 0.6 OUTLIER -105.11 125.09 50.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.287 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -120.27 163.52 17.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 111.016 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.432 ' HB3' ' CH2' ' A' ' 32' ' ' TRP . 20.3 mt -128.43 116.19 19.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.16 . . . . 0.0 109.307 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.644 ' HB3' HD23 ' A' ' 14' ' ' LEU . 93.1 m-85 -116.97 138.23 51.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 110.97 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -114.34 107.05 15.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.322 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.618 ' HA ' HD11 ' A' ' 14' ' ' LEU . . . -70.7 176.34 4.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 8.5 pttt -79.76 -33.88 40.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -157.82 -175.84 5.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.32 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -60.16 -36.55 77.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.57 1.169 . . . . 0.0 110.264 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.96 -71.69 0.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.145 . . . . 0.0 109.269 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -38.58 -45.25 1.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.333 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.716 ' CE ' HG22 ' A' ' 74' ' ' VAL . 17.2 ttp -64.35 -67.65 0.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.982 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -40.02 -47.53 2.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.014 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.884 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.3 OUTLIER -56.08 -55.17 36.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.993 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.525 ' CD2' ' HG2' ' A' ' 10' ' ' MET . 36.1 m95 -43.53 -68.23 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 108.038 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.576 HD21 ' CG ' ' A' ' 85' ' ' PHE . 2.0 mm? -40.15 -51.93 2.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.407 ' HB3' ' O ' ' A' ' 107' ' ' SER . 35.6 ttp180 -57.05 -42.83 81.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.884 HG23 ' O ' ' A' ' 107' ' ' SER . 12.7 t -70.29 -60.11 2.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.557 HG11 HD13 ' A' ' 87' ' ' LEU . 71.6 t -44.71 -39.01 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -71.18 -38.42 72.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 111' ' ' VAL . . . -71.96 -21.5 61.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.661 ' HB2' HD21 ' A' ' 39' ' ' LEU . . . -85.11 -43.37 13.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.248 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.725 HD13 ' O ' ' A' ' 70' ' ' ALA . 22.1 mt -57.59 -60.74 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -45.61 -57.96 3.79 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.558 1.161 . . . . 0.0 109.263 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.3 t -46.02 -54.3 8.66 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.126 . . . . 0.0 109.997 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 101.98 158.46 26.4 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.557 1.161 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 86.93 1.36 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.435 1.755 . . . . 0.0 110.959 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 8.3 m 49.78 90.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.005 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 12.1 p -123.3 97.75 5.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.019 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.477 1.111 . . . . 0.0 110.996 -179.985 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.057 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.0 t 61.25 170.3 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 0.781 . . . . 0.0 110.006 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.1 m -137.57 -57.78 0.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.994 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.67 178.17 51.11 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.53 1.144 . . . . 0.0 110.991 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.8 p -72.98 165.77 24.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 0.759 . . . . 0.0 109.99 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.9 m 54.45 170.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 110.0 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.37 -176.09 29.03 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.502 1.126 . . . . 0.0 110.978 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.424 ' OE2' ' NH1' ' A' ' 110' ' ' ARG . 3.4 mt-10 -100.14 102.16 13.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 0.76 . . . . 0.0 110.257 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -97.51 149.52 22.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.273 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.659 ' CB ' HG11 ' A' ' 111' ' ' VAL . 5.0 ttt -152.97 132.14 12.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 111.029 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.429 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 1.3 pm0 -148.28 130.18 15.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -172.47 160.75 32.11 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.472 1.107 . . . . 0.0 111.039 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.699 ' O ' HD12 ' A' ' 14' ' ' LEU . 1.5 mmt -61.12 122.73 15.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 0.801 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.816 HD23 ' HB3' ' A' ' 97' ' ' PHE . 1.5 mp -142.51 154.22 44.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.422 ' O ' ' O ' ' A' ' 96' ' ' LEU . 0.1 OUTLIER -94.54 95.78 9.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.122 . . . . 0.0 108.281 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.486 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 9.3 ttp180 -89.65 119.5 30.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.332 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.413 ' O ' ' CD ' ' A' ' 19' ' ' GLU . 5.2 tttt -124.62 108.7 12.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.794 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 54.1 tt0 -68.27 110.6 4.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.3 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.413 ' CD ' ' O ' ' A' ' 17' ' ' LYS . 26.7 mp0 -84.4 -60.07 2.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.133 . . . . 0.0 110.333 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 80.2 mmm -122.63 150.2 42.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.981 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.545 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 8.7 tt0 -103.35 -11.33 17.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.545 ' HB2' ' O ' ' A' ' 21' ' ' GLU . . . 172.91 164.69 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -45.81 108.75 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 111.039 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 88.65 -34.38 3.89 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.542 1.151 . . . . 0.0 111.0 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.402 ' CE ' ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -74.21 127.9 34.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 0.759 . . . . 0.0 109.347 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.402 ' O ' ' CE ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -109.71 138.56 45.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.794 ' HB2' ' HG2' ' A' ' 18' ' ' GLN . . . -55.1 119.86 6.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.56 -54.2 2.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -106.77 118.9 37.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.322 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 50.6 mtm180 -115.53 72.56 0.8 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 110.308 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.405 ' O ' ' OE1' ' A' ' 33' ' ' GLN . 0.1 OUTLIER -120.27 159.1 25.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.016 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 75.3 m95 -88.18 132.05 34.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 108.008 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.535 ' O ' HG23 ' A' ' 35' ' ' VAL . 6.3 mp0 -146.12 129.53 16.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -66.31 103.85 1.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.091 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.569 HG11 ' HB3' ' A' ' 46' ' ' PHE . 41.6 t -119.52 125.1 74.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.555 ' CE2' ' HA ' ' A' ' 50' ' ' ALA . 14.1 t80 -69.26 108.05 3.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.604 ' SG ' HD11 ' A' ' 44' ' ' LEU . 0.5 OUTLIER -75.56 129.16 36.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 108.287 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 97.6 t -129.34 105.35 12.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.947 HD22 HG12 ' A' ' 111' ' ' VAL . 0.8 OUTLIER -95.81 136.07 36.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -168.67 148.77 4.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.346 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 42.62 29.8 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.328 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.67 ' HA2' ' HB1' ' A' ' 115' ' ' ALA . . . 69.38 50.93 29.33 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 58.3 p -153.46 125.25 7.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 0.768 . . . . 0.0 109.993 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.604 HD11 ' SG ' ' A' ' 37' ' ' CYS . 27.5 tp -90.24 109.4 20.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -99.73 147.44 18.25 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.493 1.121 . . . . 0.0 111.013 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.569 ' HB3' HG11 ' A' ' 35' ' ' VAL . 41.7 m-85 -111.58 138.24 48.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 0.771 . . . . 0.0 110.971 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.456 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 56.7 m-85 -147.15 164.29 33.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 110.994 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.54 -60.82 2.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.551 ' H ' ' HB3' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -154.7 -177.97 6.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.555 ' HA ' ' CE2' ' A' ' 36' ' ' TYR . . . -62.71 -19.0 63.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 109.297 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.19 -17.7 39.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.331 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.551 ' HB3' ' H ' ' A' ' 49' ' ' ASP . . . -94.52 -35.14 12.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.484 ' HB2' ' HD2' ' A' ' 36' ' ' TYR . . . -65.63 -40.33 92.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.91 -36.86 80.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.042 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -83.1 1.68 39.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 58.12 37.12 85.02 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.454 1.096 . . . . 0.0 111.014 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.7 t -101.14 116.42 63.92 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.484 0.755 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 132.66 15.61 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.505 1.792 . . . . 0.0 110.986 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -44.66 -64.13 0.76 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -124.85 47.39 2.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 109.596 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 50.31 23.48 6.1 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.467 1.105 . . . . 0.0 110.98 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -83.82 158.0 21.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 0.747 . . . . 0.0 110.325 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -102.67 168.79 8.35 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 140.35 25.37 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.518 1.799 . . . . 0.0 111.023 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.41 ' HB ' HD11 ' A' ' 89' ' ' LEU . 4.1 m -86.61 124.96 40.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.1 p -68.83 127.96 34.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.947 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.517 HD11 HD12 ' A' ' 39' ' ' LEU . 5.3 mt -92.14 37.75 0.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -86.68 118.28 25.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 109.331 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 64.45 26.39 13.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.28 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -93.55 169.55 10.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.41 ' O ' HD12 ' A' ' 87' ' ' LEU . 4.2 mm-40 -131.83 140.0 49.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -130.29 117.64 2.33 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.536 1.147 . . . . 0.0 110.997 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 86' ' ' LYS . 15.4 t -134.71 161.39 35.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 0.781 . . . . 0.0 109.994 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.732 HG22 ' HE3' ' A' ' 105' ' ' MET . 53.5 t -70.99 158.86 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -107.7 71.6 0.82 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.368 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -58.71 -44.16 90.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 111.01 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -40.67 -62.6 0.76 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.487 ' CZ ' ' HB2' ' A' ' 81' ' ' ARG . 0.1 OUTLIER -38.45 120.58 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 111.002 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.58 -46.72 4.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.56 -84.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 109.363 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.487 ' HB2' ' CZ ' ' A' ' 78' ' ' TYR . 10.6 mtt85 -65.37 145.75 55.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.309 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.661 ' O ' HG23 ' A' ' 84' ' ' VAL . 10.6 mttt -111.37 172.62 6.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.404 ' HA ' ' SD ' ' A' ' 105' ' ' MET . 0.0 OUTLIER 44.38 63.67 1.58 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.547 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 82' ' ' LYS . 97.0 t -132.09 138.34 52.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.364 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.619 ' CG ' HD21 ' A' ' 109' ' ' LEU . 4.9 p90 -127.67 149.58 50.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 0.0 110.958 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 73' ' ' SER . 20.9 ttmt -99.45 138.23 36.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.41 HD12 ' O ' ' A' ' 71' ' ' GLN . 42.0 tp -121.8 107.3 12.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -107.05 114.81 4.44 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.483 1.114 . . . . 0.0 110.986 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.529 HD23 ' N ' ' A' ' 89' ' ' LEU . 4.4 mt -76.27 176.27 8.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.572 0.807 . . . . 0.0 109.26 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -81.07 -16.02 54.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.452 1.095 . . . . 0.0 110.256 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.93 11.14 14.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 74.69 26.97 66.02 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.531 1.144 . . . . 0.0 110.996 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.77 114.06 26.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 0.756 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -107.1 134.72 49.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.342 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -133.38 153.16 51.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 111.023 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.422 ' O ' ' O ' ' A' ' 15' ' ' CYS . 33.6 mt -120.4 123.31 42.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.816 ' HB3' HD23 ' A' ' 14' ' ' LEU . 98.7 m-85 -122.07 128.36 51.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.98 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.482 ' HA ' HG22 ' A' ' 84' ' ' VAL . 31.2 tt0 -102.48 111.56 23.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 110.356 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.646 ' HA ' HD11 ' A' ' 14' ' ' LEU . . . -75.34 177.18 6.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 101' ' ' ASP . 0.0 OUTLIER -82.06 -25.72 34.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.252 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.42 ' N ' ' HG3' ' A' ' 100' ' ' LYS . 7.0 m-20 -170.15 -176.13 2.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -55.32 -46.75 76.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.318 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.16 -71.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -38.74 -45.86 1.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.323 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.732 ' HE3' HG22 ' A' ' 74' ' ' VAL . 13.5 ttp -63.97 -68.18 0.37 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.21 -45.7 5.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 110.053 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.846 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.3 OUTLIER -55.2 -55.1 35.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.984 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.561 ' CH2' ' HB3' ' A' ' 37' ' ' CYS . 34.1 m95 -44.63 -64.98 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 108.015 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.619 HD21 ' CG ' ' A' ' 85' ' ' PHE . 1.1 mm? -42.98 -51.73 5.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.413 1.071 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.424 ' NH1' ' OE2' ' A' ' 8' ' ' GLU . 34.6 ttp85 -56.1 -36.64 68.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.332 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.947 HG12 HD22 ' A' ' 39' ' ' LEU . 17.4 t -77.67 -59.77 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.48 ' N ' ' O ' ' A' ' 108' ' ' TRP . 93.4 t -46.33 -38.52 3.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -71.26 -36.47 71.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 111' ' ' VAL . . . -69.87 -15.75 63.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.67 ' HB1' ' HA2' ' A' ' 42' ' ' GLY . . . -93.08 -47.15 7.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 35.3 mt -52.88 -61.25 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 109.334 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -46.98 -63.33 1.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 13.6 t -43.54 -63.49 0.82 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.045 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 98.4 154.03 28.86 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.549 1.156 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 86.01 1.46 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.474 1.776 . . . . 0.0 111.017 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.5 m -117.87 148.44 42.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.98 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 75.4 p -97.48 94.24 6.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.025 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.53 102.91 9.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 0.739 . . . . 0.0 110.038 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.58 167.99 1.41 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 110.025 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.51 152.96 17.13 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.51 111.94 18.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 0.743 . . . . 0.0 110.05 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.5 p 176.18 111.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.579 1.174 . . . . 0.0 109.979 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.32 166.94 37.78 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.53 1.143 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.449 ' N ' ' OE1' ' A' ' 8' ' ' GLU . 3.4 mp0 -106.19 126.98 52.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 0.782 . . . . 0.0 110.322 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.498 ' HA ' HD23 ' A' ' 39' ' ' LEU . 0.6 OUTLIER -122.87 149.77 43.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.267 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.622 ' HE1' ' CD1' ' A' ' 108' ' ' TRP . 7.2 ttt -155.1 128.9 8.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.464 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 8.7 pt-20 -144.66 123.25 12.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 110.354 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.72 160.74 34.45 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.52 1.137 . . . . 0.0 110.997 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.727 ' O ' HD12 ' A' ' 14' ' ' LEU . 1.8 mmt -59.08 124.54 20.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 0.759 . . . . 0.0 111.039 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.827 HD23 ' HB3' ' A' ' 97' ' ' PHE . 1.6 mp -144.12 153.76 42.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.424 ' O ' ' O ' ' A' ' 96' ' ' LEU . 0.1 OUTLIER -96.69 96.41 8.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 108.284 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.576 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 12.6 ttp180 -87.98 109.46 19.84 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.531 ' HD3' ' CE2' ' A' ' 32' ' ' TRP . 0.1 OUTLIER -116.29 99.93 7.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.482 ' HG3' ' CB ' ' A' ' 27' ' ' ALA . 3.5 tp60 -59.91 140.89 56.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.326 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.445 ' N ' ' OE1' ' A' ' 18' ' ' GLN . 4.5 mm-40 -125.23 -54.56 1.59 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 110.324 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.457 ' CE ' ' O ' ' A' ' 25' ' ' LYS . 1.2 mtp -120.84 137.99 54.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.447 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 9.6 tt0 -100.9 -10.17 20.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.623 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . . . 177.66 166.03 0.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.329 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -47.41 104.99 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.77 -18.58 19.8 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.623 ' HB3' ' HB3' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -70.69 116.35 10.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 0.747 . . . . 0.0 109.314 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.88 139.48 31.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.482 ' CB ' ' HG3' ' A' ' 18' ' ' GLN . . . -72.92 130.36 40.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.86 -65.68 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -112.26 123.22 49.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.7 mtm180 -116.97 63.81 0.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.335 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.8 m -104.36 160.31 15.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.531 ' CE2' ' HD3' ' A' ' 17' ' ' LYS . 87.3 m95 -89.38 131.74 35.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 108.021 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.466 ' O ' HG23 ' A' ' 35' ' ' VAL . 40.3 mt-30 -147.35 137.06 22.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.153 . . . . 0.0 110.28 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -69.32 103.72 2.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.125 . . . . 0.0 109.316 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.487 ' CG1' ' HB3' ' A' ' 46' ' ' PHE . 22.0 t -122.69 123.72 68.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.254 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.549 ' CE1' ' HB2' ' A' ' 50' ' ' ALA . 48.5 t80 -74.39 111.14 9.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.085 . . . . 0.0 111.007 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.777 ' SG ' HD11 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -76.42 130.61 38.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 108.319 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 72.7 t -127.49 105.78 14.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 1.043 HD22 HG12 ' A' ' 111' ' ' VAL . 0.6 OUTLIER -99.17 138.52 36.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.36 145.34 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.254 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 54.29 19.14 2.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.575 1.172 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.597 ' HA2' ' HB1' ' A' ' 115' ' ' ALA . . . 76.76 42.29 21.46 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.486 1.117 . . . . 0.0 110.968 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 76.3 p -146.17 127.76 15.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 0.775 . . . . 0.0 110.031 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.777 HD11 ' SG ' ' A' ' 37' ' ' CYS . 35.3 tp -93.02 112.6 24.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.44 158.08 18.13 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.509 1.131 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.588 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 43.9 m-85 -120.68 138.63 53.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 0.76 . . . . 0.0 110.992 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.588 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 29.5 m-85 -149.58 164.37 35.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.96 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.97 -67.03 0.29 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.477 ' HA ' ' CE ' ' A' ' 13' ' ' MET . 0.6 OUTLIER -151.33 -177.7 6.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.549 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . . . -63.11 -13.16 33.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -82.12 -28.02 32.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . -85.8 -48.52 8.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -46.21 -53.8 9.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.6 t -51.41 -47.15 63.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.98 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.44 -34.97 78.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 52' ' ' ALA . . . 92.9 30.54 9.39 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.529 1.143 . . . . 0.0 110.984 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 47.0 t -99.27 123.91 46.9 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.54 0.788 . . . . 0.0 109.332 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 137.32 21.57 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.477 1.777 . . . . 0.0 110.979 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -46.44 -65.53 0.54 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -124.81 50.42 1.74 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.606 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 51.83 20.34 5.99 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -80.02 159.11 26.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 0.748 . . . . 0.0 110.263 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -105.92 168.25 8.51 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 141.28 26.41 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.482 1.78 . . . . 0.0 110.998 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.401 ' HB ' ' CD1' ' A' ' 89' ' ' LEU . 25.2 m -88.51 125.99 41.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.9 p -69.33 129.5 39.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.033 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.698 HD11 HD12 ' A' ' 39' ' ' LEU . 6.9 mt -92.41 27.53 2.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.9 110.53 8.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.3 mtm180 69.44 17.93 7.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 110.341 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -78.12 158.61 29.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -116.37 125.66 52.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 110.325 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -118.74 113.29 2.54 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.535 1.147 . . . . 0.0 110.954 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -137.22 155.92 48.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 0.755 . . . . 0.0 109.992 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.574 HG21 ' CZ ' ' A' ' 76' ' ' PHE . 0.9 OUTLIER -77.53 163.91 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.416 ' N ' ' HA ' ' A' ' 85' ' ' PHE . . . -127.07 73.72 1.44 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.574 ' CZ ' HG21 ' A' ' 74' ' ' VAL . 17.3 m-85 -62.94 -33.4 75.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.949 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.64 -50.46 13.37 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.564 ' CE2' ' HB2' ' A' ' 81' ' ' ARG . 0.5 OUTLIER -51.24 103.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.997 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.68 -61.25 1.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.324 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.5 mtmm -40.68 -87.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.682 ' HB3' HG21 ' A' ' 84' ' ' VAL . 78.5 mtt-85 -65.55 112.99 3.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 110.312 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.763 ' O ' HG23 ' A' ' 84' ' ' VAL . 13.0 mmtt -83.92 171.4 13.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 39.63 60.1 1.69 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.602 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 82' ' ' LYS . 74.4 t -125.01 137.12 58.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.599 ' CG ' HD21 ' A' ' 109' ' ' LEU . 8.6 p90 -126.12 148.59 49.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 111.012 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.9 ttmt -99.5 133.01 44.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 52.4 tp -114.59 110.5 19.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -107.55 114.57 4.29 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.451 HD23 ' N ' ' A' ' 89' ' ' LEU . 6.4 mt -76.0 165.67 24.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 0.786 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -68.56 -26.76 65.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.301 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -75.49 -3.17 32.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 89.57 26.68 24.47 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.499 1.124 . . . . 0.0 110.964 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.66 108.68 20.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 0.767 . . . . 0.0 109.273 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -101.66 116.67 33.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.33 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -116.03 158.85 22.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 111.006 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.424 ' O ' ' O ' ' A' ' 15' ' ' CYS . 14.4 mt -124.93 119.47 28.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.827 ' HB3' HD23 ' A' ' 14' ' ' LEU . 99.6 m-85 -121.65 124.93 45.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.568 ' HA ' HG22 ' A' ' 84' ' ' VAL . 31.0 tt0 -99.02 115.36 28.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.44 ' HA ' HD11 ' A' ' 14' ' ' LEU . . . -78.46 176.99 8.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.342 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.0 pttt -83.58 -41.24 18.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -150.16 176.9 10.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -52.03 -45.79 64.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.276 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.02 -67.54 0.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -39.39 -47.15 1.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.352 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.445 ' CE ' ' HB ' ' A' ' 74' ' ' VAL . 8.9 ttp -63.3 -68.71 0.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 111.019 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.04 -47.58 4.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.955 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.881 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.3 OUTLIER -54.78 -55.57 28.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.028 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.622 ' CD1' ' HE1' ' A' ' 10' ' ' MET . 27.4 m95 -44.51 -65.99 0.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 107.996 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.599 HD21 ' CG ' ' A' ' 85' ' ' PHE . 1.1 mm? -42.64 -52.27 4.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 34.5 ttt180 -55.53 -36.64 66.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.273 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 1.043 HG12 HD22 ' A' ' 39' ' ' LEU . 17.3 t -77.42 -58.17 4.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.414 ' N ' ' O ' ' A' ' 108' ' ' TRP . 97.2 t -48.73 -40.69 11.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -70.05 -37.45 75.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.406 ' HB1' ' CD ' ' A' ' 8' ' ' GLU . . . -70.27 -15.87 62.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.597 ' HB1' ' HA2' ' A' ' 42' ' ' GLY . . . -92.89 -47.39 7.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 25.5 mt -52.28 -61.71 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -53.35 -61.22 2.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.339 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 119' ' ' GLY . 22.9 m -52.89 100.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 110.028 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 118' ' ' SER . . . -36.3 131.11 0.89 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 169.11 23.36 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.431 1.753 . . . . 0.0 111.014 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 23.6 p -168.02 81.94 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.031 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.15 147.03 1.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.957 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.94 0 O-C-N 124.484 1.115 . . . . 0.0 111.052 179.973 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.55 93.34 2.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 0.748 . . . . 0.0 109.989 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.7 p -160.35 121.44 3.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.988 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.83 -149.91 6.42 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.564 1.165 . . . . 0.0 111.02 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -152.49 143.07 22.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 0.786 . . . . 0.0 109.985 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.98 149.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 110.004 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.29 -162.81 14.42 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.52 1.138 . . . . 0.0 111.011 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -95.38 103.49 15.36 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.55 0.794 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.459 ' HA ' HD23 ' A' ' 39' ' ' LEU . 1.4 mt-30 -97.06 142.57 28.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.278 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.802 ' HB2' HG11 ' A' ' 111' ' ' VAL . 8.7 ttt -140.67 132.9 28.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.496 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 14.4 pt-20 -147.72 122.56 9.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.276 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -168.0 161.11 34.87 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.704 ' O ' HD12 ' A' ' 14' ' ' LEU . 1.6 mmt -59.11 125.93 25.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 0.766 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.902 HD23 ' HB3' ' A' ' 97' ' ' PHE . 1.4 mp -146.12 156.44 43.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -99.16 96.2 7.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 108.289 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.56 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 7.7 ttp180 -88.14 122.48 31.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.252 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.407 ' HD2' ' NE1' ' A' ' 32' ' ' TRP . 2.3 tttt -124.13 105.95 9.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.484 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 6.2 tt0 -67.82 111.84 4.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.255 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -91.72 -59.46 2.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.268 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.429 ' HE3' ' O ' ' A' ' 25' ' ' LYS . 74.7 mmm -118.5 156.06 29.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 111.005 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -113.34 -15.72 12.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 110.325 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . -175.82 157.19 1.92 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -41.32 108.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 111.011 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.71 -37.27 3.18 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.49 1.119 . . . . 0.0 110.951 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.476 ' CE ' ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -65.21 124.03 21.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 0.768 . . . . 0.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.476 ' O ' ' CE ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -96.61 139.92 31.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.484 ' CB ' ' HG2' ' A' ' 18' ' ' GLN . . . -65.21 130.19 42.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.59 -66.92 0.27 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 31.8 t30 -104.85 124.67 49.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.365 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 77.7 mtm180 -116.8 75.01 0.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.3 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.4 t -120.13 169.31 10.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.028 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.512 ' CZ2' ' OH ' ' A' ' 78' ' ' TYR . 71.7 m95 -96.31 135.65 37.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 108.026 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -147.02 135.81 22.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.301 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -69.17 104.06 2.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.478 ' CG1' ' HB3' ' A' ' 46' ' ' PHE . 40.1 t -124.98 127.26 72.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.409 ' CD2' HG23 ' A' ' 38' ' ' VAL . 54.5 t80 -73.86 111.52 9.08 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.424 1.078 . . . . 0.0 111.031 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.768 ' SG ' HD11 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -76.35 129.86 37.24 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 108.296 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.409 HG23 ' CD2' ' A' ' 36' ' ' TYR . 29.4 t -127.29 104.72 12.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 1.085 HD22 HG12 ' A' ' 111' ' ' VAL . 0.7 OUTLIER -101.62 144.56 30.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 0.0 109.251 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 42' ' ' GLY . 2.3 tpt180 -138.51 -148.86 0.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -66.6 71.43 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.107 . . . . 0.0 110.304 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 40' ' ' ARG . . . 75.41 54.81 5.38 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.451 1.094 . . . . 0.0 111.026 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.441 ' O ' ' HA ' ' A' ' 39' ' ' LEU . 62.0 p -159.79 166.01 31.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 0.77 . . . . 0.0 109.987 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.768 HD11 ' SG ' ' A' ' 37' ' ' CYS . 39.6 tp -151.06 100.33 2.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -97.71 156.36 20.6 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.47 1.106 . . . . 0.0 111.01 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.596 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 66.9 m-85 -114.78 138.51 50.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 0.732 . . . . 0.0 111.015 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.596 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 13.3 m-85 -146.87 157.63 43.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.113 . . . . 0.0 110.964 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -48.59 -68.62 0.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.506 ' HA ' ' HE3' ' A' ' 13' ' ' MET . 0.3 OUTLIER -148.97 -174.47 4.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.405 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . . . -65.46 -11.56 44.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.6 mmtm -80.08 -31.46 39.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.38 -41.78 15.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -49.17 -51.96 29.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.6 t -63.94 -26.82 68.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 110.022 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.769 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -92.91 11.55 26.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 42.61 36.13 2.25 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.519 1.137 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.769 HG23 ' O ' ' A' ' 55' ' ' ALA . 95.0 t -102.55 119.94 54.53 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.445 0.732 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 133.88 17.1 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.483 1.781 . . . . 0.0 110.971 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -46.72 -65.56 0.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 110.99 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -121.51 43.16 2.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.665 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 51.8 24.92 14.35 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.49 1.118 . . . . 0.0 111.017 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -87.28 136.37 32.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.55 0.794 . . . . 0.0 110.279 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 64' ' ' PRO . 0.8 OUTLIER -79.29 170.85 14.31 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.425 ' O ' HG23 ' A' ' 63' ' ' VAL . 18.4 Cg_endo -75.02 159.3 41.45 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.421 1.748 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.427 ' HB ' ' CD1' ' A' ' 89' ' ' LEU . 24.6 m -104.78 124.1 59.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.353 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.8 m -68.31 127.31 32.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.986 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.717 HD11 HD12 ' A' ' 39' ' ' LEU . 13.4 mt -89.44 43.45 1.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.102 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -88.13 118.06 27.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 64.99 21.53 12.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 110.27 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.624 ' O ' HD13 ' A' ' 116' ' ' ILE . . . -92.32 165.53 13.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.415 ' O ' HD12 ' A' ' 87' ' ' LEU . 1.1 mm-40 -138.84 150.36 45.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -133.33 120.79 2.66 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.533 1.146 . . . . 0.0 110.998 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 86' ' ' LYS . 32.7 t -137.77 161.6 36.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 0.764 . . . . 0.0 109.986 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.753 HG22 ' CE ' ' A' ' 105' ' ' MET . 46.5 t -65.11 160.85 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.35 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.411 ' N ' HG12 ' A' ' 74' ' ' VAL . . . -113.4 52.24 0.81 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.403 ' O ' ' C ' ' A' ' 77' ' ' ASP . 49.7 m-85 -46.23 -49.99 16.48 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 111.024 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -40.32 -50.71 2.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 109.3 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.512 ' OH ' ' CZ2' ' A' ' 32' ' ' TRP . 5.9 t80 -47.43 119.8 2.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.997 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.37 77.64 1.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.357 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.2 mmtt -161.3 -59.22 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.5 mpt_? -106.63 173.29 6.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 110.307 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.506 ' C ' ' CG ' ' A' ' 83' ' ' HIS . 34.0 mttp -116.03 153.96 30.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.506 ' CG ' ' C ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER 59.23 60.21 2.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.552 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 88.6 t -124.76 129.27 73.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.708 ' CG ' HD21 ' A' ' 109' ' ' LEU . 11.9 p90 -128.28 143.59 51.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.949 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 73' ' ' SER . 27.9 ttmt -90.6 141.61 28.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.583 HD13 HG11 ' A' ' 112' ' ' VAL . 45.5 tp -125.0 98.77 5.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -94.61 114.55 4.84 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.479 1.112 . . . . 0.0 110.958 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.427 ' CD1' ' HB ' ' A' ' 65' ' ' VAL . 4.0 mt -72.67 -169.07 0.51 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 0.761 . . . . 0.0 109.26 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -94.94 -17.66 21.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.285 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -96.07 32.05 2.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 59.25 30.48 67.62 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.47 1.106 . . . . 0.0 111.028 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.35 106.03 17.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 0.765 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -101.71 138.16 39.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.422 1.076 . . . . 0.0 110.317 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.509 ' HB3' ' CE2' ' A' ' 97' ' ' PHE . 52.5 m-85 -132.89 160.87 35.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 111.039 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 47.2 mt -131.37 112.08 12.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.902 ' HB3' HD23 ' A' ' 14' ' ' LEU . 89.5 m-85 -115.02 125.76 53.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.966 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -99.43 112.26 24.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.443 ' HA ' HD11 ' A' ' 14' ' ' LEU . . . -73.29 178.53 4.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.88 -35.03 22.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -153.62 178.7 9.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -57.69 -40.06 78.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.13 . . . . 0.0 110.301 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.93 -66.27 0.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -40.18 -49.28 2.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.322 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.753 ' CE ' HG22 ' A' ' 74' ' ' VAL . 3.0 tmm? -61.14 -71.34 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 111.014 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.512 ' N ' ' SD ' ' A' ' 105' ' ' MET . 56.2 p -34.15 -48.47 0.32 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.981 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.813 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.3 OUTLIER -58.95 -55.54 33.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 110.013 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.586 ' O ' HG23 ' A' ' 112' ' ' VAL . 15.3 m95 -44.54 -51.32 9.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 108.026 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.708 HD21 ' CG ' ' A' ' 85' ' ' PHE . 2.8 mm? -56.83 -50.95 70.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 35.1 ttt85 -57.98 -42.24 84.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 110.309 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 1.085 HG12 HD22 ' A' ' 39' ' ' LEU . 16.0 t -69.22 -60.09 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.24 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 108' ' ' TRP . 72.1 t -45.07 -40.3 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -70.64 -38.57 73.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 111' ' ' VAL . . . -68.82 -19.08 64.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.732 ' HB2' HD21 ' A' ' 39' ' ' LEU . . . -88.06 -43.02 12.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.097 . . . . 0.0 109.312 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.624 HD13 ' O ' ' A' ' 70' ' ' ALA . 40.8 mt -54.78 -59.16 2.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -48.84 -59.29 3.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.563 1.165 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.03 85.61 0.05 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 0.0 109.987 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -164.1 -142.08 3.3 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.462 1.101 . . . . 0.0 111.015 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 158.77 41.62 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.498 1.789 . . . . 0.0 110.969 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.3 t -84.67 -59.48 2.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.971 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.7 97.96 5.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.005 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.497 1.123 . . . . 0.0 110.975 -179.992 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.4 m -66.98 -58.6 4.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 0.773 . . . . 0.0 110.008 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.2 m 42.95 84.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.016 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.72 -72.96 0.36 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.51 1.131 . . . . 0.0 110.973 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.82 94.49 3.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 0.779 . . . . 0.0 109.996 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.0 t -106.4 121.05 43.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 109.982 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.21 132.15 3.46 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.506 1.128 . . . . 0.0 111.02 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -89.8 84.85 6.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.439 0.729 . . . . 0.0 110.311 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.414 ' HA ' HD23 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -94.76 152.61 18.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.739 ' HB2' HG11 ' A' ' 111' ' ' VAL . 4.9 ttt -151.18 130.76 13.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.479 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 8.3 pt-20 -144.11 122.92 12.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -164.73 153.16 23.23 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.535 1.147 . . . . 0.0 111.005 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.729 ' O ' HD12 ' A' ' 14' ' ' LEU . 3.5 tpt -58.54 119.92 7.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 0.798 . . . . 0.0 110.964 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.729 HD12 ' O ' ' A' ' 13' ' ' MET . 1.8 mp -139.11 153.05 47.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -94.32 96.63 9.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 108.341 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.561 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 14.3 ttp180 -89.1 123.59 33.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -124.54 94.55 4.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.404 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 25.5 tt0 -61.11 110.31 1.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.454 ' O ' ' NE ' ' A' ' 30' ' ' ARG . 2.5 mm-40 -88.4 -51.75 5.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.404 ' SD ' ' O ' ' A' ' 25' ' ' LYS . 80.7 mmm -125.07 163.49 22.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.511 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 14.2 tt0 -115.07 -12.54 11.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.511 ' HB2' ' O ' ' A' ' 21' ' ' GLU . . . 174.59 173.28 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -47.69 118.5 2.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 110.991 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 59.05 14.41 24.49 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.515 1.135 . . . . 0.0 110.95 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.404 ' O ' ' SD ' ' A' ' 20' ' ' MET . 0.0 OUTLIER -101.07 121.59 42.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 0.754 . . . . 0.0 109.298 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -89.16 137.85 31.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 28' ' ' ALA . . . -76.01 138.28 40.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 27' ' ' ALA . . . -39.31 -62.74 0.62 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -133.17 119.23 19.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.454 ' NE ' ' O ' ' A' ' 19' ' ' GLU . 14.7 mtp180 -103.59 66.49 0.87 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.277 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.5 m -104.23 163.91 12.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.992 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 82.4 m95 -84.5 128.4 34.57 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 108.027 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.699 ' O ' HG23 ' A' ' 35' ' ' VAL . 64.8 mt-30 -147.36 123.87 11.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -60.85 102.99 0.22 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.699 HG23 ' O ' ' A' ' 33' ' ' GLN . 44.1 t -120.82 121.48 65.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.446 ' CE1' ' HB2' ' A' ' 50' ' ' ALA . 26.3 t80 -69.83 111.16 5.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 110.997 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.728 ' SG ' HD11 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -75.18 129.58 37.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 108.328 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.417 ' HB ' ' CE1' ' A' ' 47' ' ' TYR . 45.7 t -126.74 105.27 13.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.93 HD22 HG12 ' A' ' 111' ' ' VAL . 0.6 OUTLIER -102.2 144.01 31.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 42' ' ' GLY . 2.7 tpt180 -134.66 -148.36 0.31 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 110.339 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -66.18 69.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.324 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.567 ' HA2' ' HB1' ' A' ' 115' ' ' ALA . . . 77.55 55.98 4.06 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.446 ' O ' ' HA ' ' A' ' 39' ' ' LEU . 60.4 p -160.25 167.24 28.0 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.543 0.79 . . . . 0.0 109.993 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.728 HD11 ' SG ' ' A' ' 37' ' ' CYS . 52.4 tp -150.06 101.07 2.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -101.01 147.68 17.91 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.502 1.126 . . . . 0.0 111.016 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.481 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 67.9 m-85 -106.25 136.15 46.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 0.733 . . . . 0.0 110.961 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.481 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 6.8 m-85 -137.54 166.94 22.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.76 -63.8 1.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.553 ' H ' ' HB3' ' A' ' 52' ' ' ALA . 0.2 OUTLIER -152.63 -174.67 4.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.446 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . . . -61.0 -26.22 67.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -77.56 -14.49 59.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.561 1.163 . . . . 0.0 109.327 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.553 ' HB3' ' H ' ' A' ' 49' ' ' ASP . . . -97.42 -24.94 15.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.43 -40.26 73.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.5 t -70.81 -41.61 71.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.976 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.81 -3.79 33.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 57.97 44.77 94.38 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.548 1.155 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 78.4 t -104.41 105.58 50.36 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.476 0.75 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 128.83 11.78 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.486 1.782 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.409 ' C ' ' N ' ' A' ' 61' ' ' GLY . 5.3 t80 -49.18 117.27 2.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.954 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 11.1 m170 48.81 23.32 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.577 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.409 ' N ' ' C ' ' A' ' 59' ' ' TYR . . . 69.3 31.37 71.55 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.542 1.152 . . . . 0.0 110.959 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -77.11 115.43 16.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 0.775 . . . . 0.0 110.285 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.412 HG13 ' H ' ' A' ' 63' ' ' VAL . 1.1 m -65.11 164.89 19.11 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 152.68 40.91 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.55 1.816 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.474 ' HB ' ' CD1' ' A' ' 89' ' ' LEU . 27.3 m -97.69 125.11 50.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 38.9 m -70.67 129.96 40.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.031 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.604 HD11 ' CD1' ' A' ' 39' ' ' LEU . 19.9 mt -91.9 31.88 1.19 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.422 ' O ' ' CB ' ' A' ' 69' ' ' ARG . . . -82.39 108.06 15.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.422 ' CB ' ' O ' ' A' ' 68' ' ' ALA . 3.4 mmp_? 78.38 21.76 0.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 110.316 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.479 ' HB3' HG12 ' A' ' 116' ' ' ILE . . . -91.81 176.16 6.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.271 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -149.53 148.08 28.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -133.2 128.8 5.2 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 58.1 m -137.51 161.45 36.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 0.749 . . . . 0.0 110.021 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.872 HG11 ' CE1' ' A' ' 76' ' ' PHE . 54.2 t -80.36 154.83 4.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 84' ' ' VAL . . . -106.28 87.31 2.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.872 ' CE1' HG11 ' A' ' 74' ' ' VAL . 45.4 m-85 -89.04 25.45 1.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.939 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 78' ' ' TYR . 1.1 m-20 -125.03 -42.36 2.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.344 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.473 ' CD2' HG11 ' A' ' 84' ' ' VAL . 3.2 t80 -35.89 131.44 0.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.095 . . . . 0.0 110.954 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.487 ' O ' ' HB2' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -104.94 173.53 6.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.254 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.487 ' HB2' ' O ' ' A' ' 79' ' ' ARG . 5.4 mmpt? 75.0 -82.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.328 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.466 ' HB2' ' CE1' ' A' ' 78' ' ' TYR . 62.6 mtt180 -81.03 175.51 10.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.483 ' C ' ' CG ' ' A' ' 83' ' ' HIS . 68.8 mttt -140.3 165.42 27.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.522 ' CG ' ' HA ' ' A' ' 101' ' ' ASP . 0.0 OUTLIER 63.61 55.3 1.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.593 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.543 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 59.5 t -122.67 140.41 46.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.593 ' CZ ' ' HB2' ' A' ' 97' ' ' PHE . 10.6 p90 -129.95 136.37 49.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 110.96 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.475 ' HA ' HD23 ' A' ' 96' ' ' LEU . 33.6 ttmt -86.03 153.57 22.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.095 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.416 HD13 HG11 ' A' ' 112' ' ' VAL . 55.3 tp -138.83 107.54 5.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 109.31 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -108.71 114.32 4.03 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.527 1.142 . . . . 0.0 110.949 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.474 ' CD1' ' HB ' ' A' ' 65' ' ' VAL . 5.4 mt -74.89 177.23 6.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 0.776 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -81.87 -17.21 48.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.307 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -85.24 8.73 17.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 79.24 21.24 67.87 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.533 1.145 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.41 119.03 29.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.571 0.806 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -110.81 126.05 54.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 110.298 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -124.41 159.19 30.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.475 HD23 ' HA ' ' A' ' 86' ' ' LYS . 13.4 mt -131.41 116.19 17.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.602 ' HB3' HD23 ' A' ' 14' ' ' LEU . 91.4 m-85 -117.98 127.53 53.91 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.456 ' HG3' HG22 ' A' ' 84' ' ' VAL . 12.2 tt0 -98.35 117.18 32.19 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.438 1.086 . . . . 0.0 110.275 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.564 ' HB1' ' HB3' ' A' ' 104' ' ' GLU . . . -90.82 150.23 21.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.7 pttp -52.3 -41.29 62.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.522 ' HA ' ' CG ' ' A' ' 83' ' ' HIS . 63.4 m-20 -157.03 169.99 23.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -50.58 -34.86 27.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.38 -63.06 1.35 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.564 ' HB3' ' HB1' ' A' ' 99' ' ' ALA . 0.5 OUTLIER -46.04 -54.96 7.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 110.323 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.801 ' CE ' HG22 ' A' ' 74' ' ' VAL . 13.6 tmm? -58.61 -63.89 1.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.459 ' C ' ' O ' ' A' ' 105' ' ' MET . 7.9 t -34.92 -42.85 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.971 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.833 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.3 OUTLIER -66.02 -51.48 57.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.041 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.578 ' CH2' ' HG2' ' A' ' 10' ' ' MET . 34.7 m95 -47.98 -63.16 1.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.556 HD21 ' CG ' ' A' ' 85' ' ' PHE . 0.5 OUTLIER -43.51 -50.26 7.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 45.5 ttt180 -56.8 -36.58 70.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.337 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.93 HG12 HD22 ' A' ' 39' ' ' LEU . 19.9 t -78.52 -59.11 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.471 ' N ' ' O ' ' A' ' 108' ' ' TRP . 83.8 t -46.65 -36.94 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -72.52 -36.6 68.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 111' ' ' VAL . . . -71.43 -18.9 62.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.567 ' HB1' ' HA2' ' A' ' 42' ' ' GLY . . . -88.61 -44.03 10.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.459 1.099 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.479 HG12 ' HB3' ' A' ' 70' ' ' ALA . 45.2 mt -54.84 -56.92 8.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -53.88 -42.53 68.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.0 m -78.55 61.36 2.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.029 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -92.43 -160.83 36.15 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 132.88 15.87 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.494 1.786 . . . . 0.0 110.966 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 32.0 p 57.5 63.27 1.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.987 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 47.0 t -130.07 121.83 27.15 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 0.0 109.972 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 O-C-N 124.473 1.108 . . . . 0.0 111.031 179.961 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.057 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.2 t -75.95 -58.65 3.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 0.784 . . . . 0.0 110.023 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m -159.05 150.21 20.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.998 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.85 101.9 0.7 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 t -107.38 133.21 52.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.765 . . . . 0.0 109.985 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.401 ' HA ' ' NE ' ' A' ' 41' ' ' ARG . 87.9 p -51.32 140.3 17.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 110.008 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.39 -147.11 18.93 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.483 1.114 . . . . 0.0 110.951 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -106.35 110.65 22.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 0.763 . . . . 0.0 110.278 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.822 ' HA ' HD23 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -101.25 158.68 15.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 110.29 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.788 ' HB2' HG11 ' A' ' 111' ' ' VAL . 7.2 ttt -155.89 132.08 10.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.479 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 8.0 pt-20 -144.23 125.03 14.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -168.29 157.99 30.49 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.523 1.14 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.68 ' O ' HD12 ' A' ' 14' ' ' LEU . 1.9 mmt -58.85 124.53 20.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 0.78 . . . . 0.0 110.986 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.867 HD23 ' HB3' ' A' ' 97' ' ' PHE . 1.3 mp -143.84 156.85 44.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.403 ' O ' ' O ' ' A' ' 96' ' ' LEU . 0.3 OUTLIER -98.11 96.3 8.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 108.257 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.545 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 10.2 ttp180 -88.62 119.49 29.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.281 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -124.08 97.78 5.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.464 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 20.6 tt0 -64.41 112.36 3.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 110.331 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.467 ' OE2' ' N ' ' A' ' 96' ' ' LEU . 1.9 mp0 -93.25 -46.61 7.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 110.35 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.5 ' CE ' ' O ' ' A' ' 25' ' ' LYS . 91.0 mmm -127.04 154.23 44.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.493 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 5.3 tt0 -110.68 -12.72 14.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.329 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.493 ' HB2' ' O ' ' A' ' 21' ' ' GLU . . . 175.88 174.72 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.316 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -48.55 115.31 1.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 61.6 12.25 32.82 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.506 1.129 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.5 ' O ' ' CE ' ' A' ' 20' ' ' MET . 0.0 OUTLIER -96.77 127.71 43.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 0.787 . . . . 0.0 109.248 -179.94 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.4 ptpt -93.86 138.63 31.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.242 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.464 ' CB ' ' HG2' ' A' ' 18' ' ' GLN . . . -78.6 133.49 37.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.44 -69.06 0.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -106.93 121.94 45.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 28.9 mtm180 -115.87 62.57 0.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.329 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.86 158.22 24.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 0.0 109.974 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 85.1 m95 -79.67 132.32 36.19 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.43 ' O ' HG23 ' A' ' 35' ' ' VAL . 52.8 mt-30 -147.16 134.63 20.84 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.52 103.76 1.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.348 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.482 ' CG1' ' HB3' ' A' ' 46' ' ' PHE . 33.2 t -124.46 125.14 69.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.107 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.595 ' CE1' ' HB2' ' A' ' 50' ' ' ALA . 54.8 t80 -71.82 111.6 7.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.882 ' SG ' HD11 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -77.22 127.17 32.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 108.305 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 52.2 t -123.34 105.43 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.242 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.946 HD22 HG12 ' A' ' 111' ' ' VAL . 0.9 OUTLIER -99.5 144.6 28.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.472 ' O ' ' N ' ' A' ' 42' ' ' GLY . 3.4 tpt180 -144.61 -145.77 0.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 110.323 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.421 ' NH1' ' HB3' ' A' ' 41' ' ' ARG . 5.4 mmm180 -66.0 66.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.357 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.583 ' HA2' ' HB1' ' A' ' 115' ' ' ALA . . . 71.45 50.88 19.0 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.54 1.15 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 79.4 p -160.1 127.09 4.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 0.792 . . . . 0.0 109.945 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.882 HD11 ' SG ' ' A' ' 37' ' ' CYS . 19.6 tp -110.86 105.31 14.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -98.27 145.14 17.64 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.472 1.108 . . . . 0.0 111.038 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.519 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 64.9 m-85 -106.1 137.71 43.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.763 . . . . 0.0 111.035 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.519 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 16.7 m-85 -143.17 167.9 21.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.932 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.5 ttpt -61.09 -55.79 28.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.481 ' H ' ' HB3' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -154.97 -175.31 5.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.595 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . . . -67.83 -17.71 64.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.0 mmtp -84.01 -22.28 31.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.481 ' HB3' ' H ' ' A' ' 49' ' ' ASP . . . -90.63 -26.42 19.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.456 ' HA ' ' CD2' ' A' ' 47' ' ' TYR . . . -73.26 -42.15 62.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.13 -39.38 89.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.981 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.53 -4.31 45.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.328 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 65.82 29.44 75.07 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.553 1.158 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 46.8 t -96.5 116.57 66.2 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.497 0.763 . . . . 0.0 109.292 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 140.96 26.08 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.484 1.781 . . . . 0.0 111.016 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -43.06 -64.58 0.61 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.999 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -129.18 5.43 5.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.593 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 97.69 7.79 56.39 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.49 1.119 . . . . 0.0 110.984 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.44 ' O ' ' O ' ' A' ' 63' ' ' VAL . 54.6 mt-10 -70.36 100.61 1.77 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 0.754 . . . . 0.0 110.319 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.44 ' O ' ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -42.94 166.99 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 163.27 35.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.527 1.804 . . . . 0.0 110.955 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.421 HG22 ' O ' ' A' ' 44' ' ' LEU . 19.4 m -107.46 122.87 62.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.351 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 13.6 t -58.79 136.78 57.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.992 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.719 HD11 HD12 ' A' ' 39' ' ' LEU . 90.2 mt -104.3 50.43 0.79 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.613 ' O ' HG23 ' A' ' 116' ' ' ILE . . . -57.82 -114.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.0 mmt180 -84.72 14.83 4.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.316 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.503 ' O ' HG21 ' A' ' 116' ' ' ILE . . . -43.64 165.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.682 ' O ' HD12 ' A' ' 87' ' ' LEU . 6.3 pt20 -123.21 146.69 47.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.279 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.491 ' C ' ' CD1' ' A' ' 109' ' ' LEU . . . -133.7 108.82 0.76 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.544 1.153 . . . . 0.0 110.981 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.5 t -132.4 160.21 37.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 0.755 . . . . 0.0 110.036 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.686 HG22 ' CE ' ' A' ' 105' ' ' MET . 49.9 t -74.33 154.19 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -96.4 63.24 2.13 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -48.1 -49.41 31.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.957 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -42.42 -59.74 1.75 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.506 ' CD2' HG11 ' A' ' 84' ' ' VAL . 0.3 OUTLIER -43.91 106.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 23.4 ttt180 -97.55 -41.34 8.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.278 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -49.97 -78.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.461 ' HB2' ' CZ ' ' A' ' 78' ' ' TYR . 58.6 mtt-85 -69.54 174.61 4.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 110.32 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 26.2 mttt -133.84 159.78 39.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.41 ' HA ' ' SD ' ' A' ' 105' ' ' MET . 0.0 OUTLIER 52.4 68.4 0.83 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 109.586 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.506 HG11 ' CD2' ' A' ' 78' ' ' TYR . 82.0 t -138.5 137.86 43.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.621 ' CG ' HD21 ' A' ' 109' ' ' LEU . 3.6 p90 -128.99 149.0 51.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.467 ' HE3' HD21 ' A' ' 96' ' ' LEU . 0.2 OUTLIER -98.9 125.62 44.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.682 HD12 ' O ' ' A' ' 71' ' ' GLN . 36.2 tp -107.68 112.12 24.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -110.1 115.71 4.21 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.467 1.104 . . . . 0.0 111.021 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.41 HD11 ' HB ' ' A' ' 65' ' ' VAL . 6.7 mt -73.5 -173.0 1.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 0.751 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -93.71 -1.24 55.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.266 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -108.06 22.34 16.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.088 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 67.37 28.13 73.61 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.546 1.154 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.74 105.45 16.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 0.78 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -100.43 143.57 30.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.443 ' HB3' ' CE2' ' A' ' 97' ' ' PHE . 65.4 m-85 -136.21 158.24 44.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 111.023 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.467 ' N ' ' OE2' ' A' ' 19' ' ' GLU . 27.2 mt -126.72 120.56 29.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.867 ' HB3' HD23 ' A' ' 14' ' ' LEU . 94.4 m-85 -124.86 137.07 54.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.479 ' HA ' HG22 ' A' ' 84' ' ' VAL . 10.3 tt0 -112.16 114.1 26.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.269 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.594 ' HA ' HD11 ' A' ' 14' ' ' LEU . . . -81.27 169.78 16.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.0 pttt -64.76 -34.17 77.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.403 ' HA ' ' CG ' ' A' ' 83' ' ' HIS . 39.5 m-20 -165.99 -179.44 5.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -52.63 -35.61 54.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 110.26 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.21 -70.62 0.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.099 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.53 ' HB3' ' HB1' ' A' ' 99' ' ' ALA . 0.4 OUTLIER -46.4 -44.63 17.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.686 ' CE ' HG22 ' A' ' 74' ' ' VAL . 14.2 ttp -63.26 -68.53 0.33 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 111.02 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 37.0 t -41.72 -44.68 3.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.001 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.844 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.3 OUTLIER -57.12 -55.22 37.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 1.17 . . . . 0.0 109.995 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.524 ' CZ3' ' HG2' ' A' ' 10' ' ' MET . 37.4 m95 -41.28 -65.62 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 108.024 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.621 HD21 ' CG ' ' A' ' 85' ' ' PHE . 1.0 OUTLIER -41.58 -56.99 2.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 42.3 ttt-85 -50.48 -36.45 33.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.426 1.079 . . . . 0.0 110.28 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.946 HG12 HD22 ' A' ' 39' ' ' LEU . 7.3 t -78.35 -59.85 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.574 HG11 HD13 ' A' ' 87' ' ' LEU . 69.5 t -46.76 -43.14 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -67.04 -37.07 83.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 111' ' ' VAL . . . -66.04 -18.83 65.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.583 ' HB1' ' HA2' ' A' ' 42' ' ' GLY . . . -91.04 -38.39 12.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.613 HG23 ' O ' ' A' ' 68' ' ' ALA . 17.5 mt -69.11 -36.63 74.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.04 -47.91 64.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.7 m -93.78 43.42 1.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 109.978 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -86.43 -162.12 36.6 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 166.05 30.03 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.493 1.786 . . . . 0.0 110.979 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 71.6 m 64.92 86.0 0.13 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.98 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 53.0 p -119.31 -175.89 3.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 110.023 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.536 1.147 . . . . 0.0 110.996 179.991 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -54.0 144.01 20.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 0.737 . . . . 0.0 109.966 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 t -73.11 131.34 41.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.96 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.9 143.6 6.0 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.54 1.15 . . . . 0.0 110.992 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.6 m -100.68 97.24 7.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 0.79 . . . . 0.0 110.01 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -72.79 134.42 44.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.96 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.08 104.36 1.72 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -127.98 106.39 9.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 0.772 . . . . 0.0 110.268 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -98.06 151.69 20.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.291 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.587 ' CB ' HG11 ' A' ' 111' ' ' VAL . 7.6 ttt -154.54 127.37 8.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.951 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.448 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 6.9 pt-20 -143.25 124.96 14.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.16 161.32 34.92 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.481 1.113 . . . . 0.0 111.033 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.727 ' O ' HD12 ' A' ' 14' ' ' LEU . 1.8 mmt -59.44 125.66 24.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 0.789 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.9 HD23 ' HB3' ' A' ' 97' ' ' PHE . 1.4 mp -145.53 154.69 42.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.427 ' O ' ' HA ' ' A' ' 97' ' ' PHE . 0.5 OUTLIER -96.53 95.48 8.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 108.285 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.575 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 8.9 ttp180 -87.95 119.97 28.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.42 ' HD2' ' NE1' ' A' ' 32' ' ' TRP . 0.7 OUTLIER -123.94 108.37 12.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.708 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 45.8 tt0 -70.01 111.52 5.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.332 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -87.97 -46.19 9.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.325 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 85.9 mmm -137.64 141.99 41.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 2.7 tt0 -100.1 -10.67 21.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.301 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.409 ' HB2' ' O ' ' A' ' 21' ' ' GLU . . . -179.91 174.46 0.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -52.98 119.74 5.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 59.84 15.38 34.45 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.5 ' CE ' ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -109.28 123.99 50.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 0.749 . . . . 0.0 109.286 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.5 ' O ' ' CE ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -87.13 149.14 24.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.708 ' HB2' ' HG2' ' A' ' 18' ' ' GLN . . . -67.5 153.0 44.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 109.345 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -43.16 -80.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -83.01 -53.6 5.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.09 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.585 ' HG3' ' HB3' ' A' ' 27' ' ' ALA . 0.0 OUTLIER 72.19 47.89 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.312 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.1 p -120.59 166.35 13.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.038 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.445 ' CZ2' ' OH ' ' A' ' 78' ' ' TYR . 82.0 m95 -82.67 128.42 34.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 108.04 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.466 ' O ' HG23 ' A' ' 35' ' ' VAL . 48.0 mt-30 -142.83 133.46 25.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -66.85 103.59 1.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 109.311 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.495 HG11 ' HB3' ' A' ' 46' ' ' PHE . 38.4 t -125.74 127.31 71.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.475 ' CE2' HG22 ' A' ' 38' ' ' VAL . 59.5 t80 -74.8 114.31 13.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 110.988 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.702 ' SG ' HD11 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -78.36 132.98 37.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 108.29 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.475 HG22 ' CE2' ' A' ' 36' ' ' TYR . 87.1 t -132.43 105.59 9.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 1.064 HD22 HG12 ' A' ' 111' ' ' VAL . 0.8 OUTLIER -96.21 135.53 37.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -169.08 139.34 2.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.257 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 51.25 28.81 4.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.322 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.653 ' HA2' ' HB1' ' A' ' 115' ' ' ALA . . . 70.82 45.23 53.35 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 95.4 p -146.7 123.21 11.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 0.781 . . . . 0.0 109.978 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.702 HD11 ' SG ' ' A' ' 37' ' ' CYS . 32.2 tp -89.87 111.38 22.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.67 154.02 19.27 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.512 1.133 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.495 ' HB3' HG11 ' A' ' 35' ' ' VAL . 31.4 m-85 -116.06 133.9 55.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.772 . . . . 0.0 111.018 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.478 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 34.3 m-85 -144.66 161.56 38.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.965 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.474 ' O ' ' HE1' ' A' ' 13' ' ' MET . 0.6 OUTLIER -52.62 -67.67 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.485 ' HA ' ' HE3' ' A' ' 13' ' ' MET . 2.2 m-20 -152.23 -175.78 5.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.2 -13.84 31.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -79.98 -30.96 39.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.153 . . . . 0.0 109.278 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . -84.58 -54.65 4.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -41.26 -48.68 3.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.12 -43.33 99.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 110.023 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 52' ' ' ALA . . . -76.66 -1.42 27.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.156 . . . . 0.0 109.26 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 52' ' ' ALA . . . 58.45 36.04 82.47 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.486 1.116 . . . . 0.0 110.95 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 91.8 t -103.23 122.3 45.75 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.51 0.771 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 133.41 16.59 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.495 1.787 . . . . 0.0 110.979 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -47.67 -65.17 0.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 111.026 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -120.1 40.36 3.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 109.587 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 54.87 22.11 25.74 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.46 1.1 . . . . 0.0 110.981 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -87.13 136.18 33.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 0.76 . . . . 0.0 110.344 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -79.88 171.74 11.64 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 144.9 30.75 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 0.0 111.028 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.444 ' HB ' HD11 ' A' ' 89' ' ' LEU . 16.6 m -90.13 126.74 42.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.4 m -69.66 124.75 24.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.022 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.594 HD11 HD12 ' A' ' 39' ' ' LEU . 6.2 mt -88.89 43.01 1.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.471 ' CB ' ' HG3' ' A' ' 120' ' ' PRO . . . -88.27 122.31 31.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.433 ' HD2' ' HB1' ' A' ' 68' ' ' ALA . 0.3 OUTLIER 59.43 22.34 10.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -84.66 170.66 13.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.577 1.173 . . . . 0.0 109.341 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.47 ' O ' HD12 ' A' ' 87' ' ' LEU . 2.3 pt20 -130.23 139.44 50.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.344 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -135.41 110.53 0.83 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.471 1.107 . . . . 0.0 111.009 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.2 t -137.92 161.29 37.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 0.778 . . . . 0.0 109.999 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.626 HG22 ' CE ' ' A' ' 105' ' ' MET . 36.0 t -65.01 147.25 12.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -97.38 53.13 1.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -46.06 -42.99 14.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.977 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 51.6 t0 -45.59 -53.99 8.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.445 ' OH ' ' CZ2' ' A' ' 32' ' ' TRP . 3.2 t80 -43.57 128.06 5.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.75 57.44 1.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -138.9 -55.5 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 -108.22 -172.99 2.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 110.291 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.429 ' C ' ' CG ' ' A' ' 83' ' ' HIS . 31.3 mttt -124.49 159.23 31.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.429 ' CG ' ' C ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER 49.96 67.27 0.93 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.414 1.071 . . . . 0.0 109.62 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.466 ' CG2' ' HG3' ' A' ' 98' ' ' GLN . 87.6 t -130.32 128.25 63.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.713 ' CB ' HD21 ' A' ' 109' ' ' LEU . 14.5 p90 -126.76 143.49 51.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.433 ' HA ' HD23 ' A' ' 96' ' ' LEU . 13.2 ttmt -89.78 149.88 22.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.47 HD12 ' O ' ' A' ' 71' ' ' GLN . 46.3 tp -134.04 98.84 4.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -95.46 114.37 4.86 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.444 HD11 ' HB ' ' A' ' 65' ' ' VAL . 3.8 mt -72.75 -168.24 0.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 0.761 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -98.43 -13.17 20.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.267 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -99.54 29.1 4.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 62.09 33.34 85.45 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.463 1.102 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.67 107.92 19.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 0.779 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -104.55 135.01 46.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 110.282 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 -132.58 156.12 47.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 86' ' ' LYS . 55.6 mt -126.39 120.54 30.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.9 ' HB3' HD23 ' A' ' 14' ' ' LEU . 95.9 m-85 -119.38 121.18 38.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 110.975 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.466 ' HG3' ' CG2' ' A' ' 84' ' ' VAL . 31.1 tt0 -95.85 103.83 15.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 110.331 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.523 ' HA ' HD11 ' A' ' 14' ' ' LEU . . . -64.95 179.49 0.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.7 pttt -86.09 -34.18 20.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -155.15 177.06 11.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.259 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -53.66 -49.89 66.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 110.288 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' A' ' 104' ' ' GLU . . . -52.19 -67.72 0.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.473 ' HG2' ' HB1' ' A' ' 99' ' ' ALA . 1.0 OUTLIER -37.19 -51.58 1.02 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.264 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.626 ' CE ' HG22 ' A' ' 74' ' ' VAL . 3.6 tmm? -58.16 -71.79 0.1 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 111.04 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.533 ' N ' ' SD ' ' A' ' 105' ' ' MET . 0.4 OUTLIER -35.24 -49.06 0.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.986 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.866 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.3 OUTLIER -56.59 -53.3 59.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.021 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.579 ' CH2' ' HB3' ' A' ' 37' ' ' CYS . 22.0 m95 -49.08 -49.49 41.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 108.005 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.713 HD21 ' CB ' ' A' ' 85' ' ' PHE . 2.5 mm? -58.39 -48.12 81.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 38.7 ttt180 -60.32 -41.4 93.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.276 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 1.064 HG12 HD22 ' A' ' 39' ' ' LEU . 17.8 t -70.92 -58.22 5.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 108' ' ' TRP . 73.7 t -49.86 -35.54 10.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.435 ' ND2' ' O ' ' A' ' 109' ' ' LEU . 13.0 m-80 -72.12 -38.34 69.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.52 -17.65 64.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.653 ' HB1' ' HA2' ' A' ' 42' ' ' GLY . . . -91.13 -44.45 9.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 46.0 mt -56.51 -58.51 5.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -53.57 -60.31 3.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 119' ' ' GLY . 2.1 t -48.12 105.4 0.07 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.986 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 118' ' ' SER . . . -34.76 130.36 0.58 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.471 ' HG3' ' CB ' ' A' ' 68' ' ' ALA . 18.3 Cg_endo -74.98 88.92 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.502 1.79 . . . . 0.0 110.979 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 70.3 m 59.77 114.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.498 1.124 . . . . 0.0 109.988 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 30.1 t 63.09 97.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.955 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.498 1.124 . . . . 0.0 110.985 179.992 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.94 158.01 15.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 0.798 . . . . 0.0 109.952 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.44 -58.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 0.0 109.98 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.8 -126.48 7.93 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -59.27 104.1 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 0.747 . . . . 0.0 110.0 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -117.08 -54.27 2.42 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.518 1.136 . . . . 0.0 109.98 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.43 -154.25 7.38 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.535 1.147 . . . . 0.0 111.025 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.433 ' HB2' ' CB ' ' A' ' 114' ' ' ALA . 7.2 mp0 -85.88 102.15 13.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 0.79 . . . . 0.0 110.302 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.507 ' HA ' HD23 ' A' ' 39' ' ' LEU . 4.7 pp0? -99.91 160.42 14.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 110.336 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.711 ' CB ' HG11 ' A' ' 111' ' ' VAL . 7.1 ttt -166.2 129.54 2.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 111.02 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.421 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 5.9 pt-20 -144.35 132.94 22.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -172.21 171.28 44.13 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.463 1.102 . . . . 0.0 110.983 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.677 ' O ' HD12 ' A' ' 14' ' ' LEU . 1.0 OUTLIER -72.87 120.43 18.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 110.998 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.677 HD12 ' O ' ' A' ' 13' ' ' MET . 1.5 mp -140.63 155.47 46.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.455 ' O ' ' HA ' ' A' ' 97' ' ' PHE . 0.3 OUTLIER -95.71 95.47 8.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 108.281 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.568 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 12.0 ttp180 -87.33 119.36 27.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.325 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.1 tttt -122.73 94.97 4.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.474 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 9.7 tt0 -59.21 109.56 0.89 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 110.245 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -90.53 -54.11 4.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.276 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 7.2 mtp -117.55 142.53 47.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -111.18 -15.78 13.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 110.323 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.448 ' HA ' ' O ' ' A' ' 92' ' ' GLY . . . -169.94 164.67 9.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -45.63 121.16 2.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 111.039 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 53.6 19.32 9.27 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.459 1.1 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.432 ' CB ' ' HB3' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -110.71 125.94 54.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 0.737 . . . . 0.0 109.332 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.428 ' O ' ' CE ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -92.84 137.54 32.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.474 ' CB ' ' HG2' ' A' ' 18' ' ' GLN . . . -71.21 140.3 50.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 27' ' ' ALA . . . -40.12 -78.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.0 p-10 -90.38 134.83 34.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.8 mtm180 -128.18 54.24 1.75 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.311 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.6 m -108.24 160.04 16.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.999 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.423 ' CH2' ' HB3' ' A' ' 96' ' ' LEU . 85.7 m95 -83.58 133.13 34.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 107.989 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -146.34 133.41 20.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -65.94 103.71 0.98 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.47 ' CG1' ' HB3' ' A' ' 46' ' ' PHE . 80.2 t -120.93 129.72 75.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.45 ' CD2' ' HB2' ' A' ' 53' ' ' ALA . 6.5 t80 -76.22 109.77 10.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.974 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.61 ' SG ' ' CE1' ' A' ' 97' ' ' PHE . 0.5 OUTLIER -76.92 132.94 39.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 108.339 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 70.0 t -133.84 105.63 7.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.966 HD22 HG12 ' A' ' 111' ' ' VAL . 0.7 OUTLIER -98.01 137.71 36.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -170.19 146.2 2.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.294 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.431 ' HB2' ' NH1' ' A' ' 41' ' ' ARG . 0.6 OUTLIER 42.9 30.53 0.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 110.313 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.629 ' HA2' ' HB1' ' A' ' 115' ' ' ALA . . . 69.27 54.78 11.97 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.517 1.135 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -157.52 124.17 4.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 0.74 . . . . 0.0 109.989 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.547 HD11 ' SG ' ' A' ' 37' ' ' CYS . 27.2 tp -91.39 121.5 33.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -109.59 155.68 15.97 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.548 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 37.7 m-85 -122.41 136.99 55.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 0.762 . . . . 0.0 111.013 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.548 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 17.0 m-85 -146.36 152.73 39.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -40.59 -58.45 1.6 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.463 ' HA ' ' HE3' ' A' ' 13' ' ' MET . 2.4 m-20 -162.05 -173.45 3.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.409 ' HA ' ' CE2' ' A' ' 36' ' ' TYR . . . -63.85 -13.03 41.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.16 -19.14 30.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.417 ' HB1' ' HB ' ' A' ' 57' ' ' VAL . . . -97.37 -17.62 19.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.45 ' HB2' ' CD2' ' A' ' 36' ' ' TYR . . . -74.23 -38.38 63.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.57 -40.41 76.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 110.014 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -81.63 -7.7 59.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 62.7 49.57 71.91 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.457 1.098 . . . . 0.0 111.012 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.417 ' HB ' ' HB1' ' A' ' 52' ' ' ALA . 96.5 t -103.47 106.42 51.76 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.761 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 128.68 11.68 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.513 1.796 . . . . 0.0 111.001 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -47.9 115.48 1.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.978 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 12.0 m170 50.63 22.13 1.03 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.608 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.67 33.9 50.57 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -85.71 127.42 34.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 0.775 . . . . 0.0 110.268 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -81.85 170.92 13.35 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.427 1.08 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.438 ' HA ' ' O ' ' A' ' 44' ' ' LEU . 18.4 Cg_endo -74.98 147.16 33.63 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.459 1.768 . . . . 0.0 111.027 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 19.6 m -90.04 125.63 42.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.3 p -69.21 127.04 31.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.006 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.589 HD11 HD12 ' A' ' 39' ' ' LEU . 12.9 mt -89.56 41.97 1.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -84.76 111.32 19.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.9 mtm180 70.28 18.44 6.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.317 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.428 ' CB ' ' HA ' ' A' ' 89' ' ' LEU . . . -83.06 172.32 12.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -150.07 133.79 16.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -112.51 116.79 4.15 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.486 1.116 . . . . 0.0 111.021 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.2 t -123.2 159.71 28.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 0.776 . . . . 0.0 110.011 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.75 HG22 ' HE3' ' A' ' 105' ' ' MET . 82.8 t -87.33 154.15 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -113.93 76.52 0.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.634 ' CE2' HG11 ' A' ' 74' ' ' VAL . 62.4 m-85 -79.56 4.14 16.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 111.023 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -135.87 50.3 2.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.601 ' CD2' ' O ' ' A' ' 79' ' ' ARG . 36.0 t80 -109.28 -30.19 8.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.601 ' O ' ' CD2' ' A' ' 78' ' ' TYR . 1.4 ttt-85 60.55 179.2 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.283 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 76.24 -69.25 0.17 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.408 1.068 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 -108.19 -176.1 2.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.288 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 34.8 mttt -133.01 159.34 40.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.337 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.425 ' HA ' ' SD ' ' A' ' 105' ' ' MET . 0.0 OUTLIER 53.1 64.77 1.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.572 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.673 HG22 ' HG3' ' A' ' 98' ' ' GLN . 62.6 t -128.82 136.55 59.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.653 ' CG ' HD21 ' A' ' 109' ' ' LEU . 19.1 p90 -127.04 139.97 52.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.567 ' HA ' HD23 ' A' ' 96' ' ' LEU . 26.5 ttmt -91.9 118.48 30.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.105 . . . . 0.0 109.246 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.56 HD13 HG11 ' A' ' 112' ' ' VAL . 35.3 tp -94.73 98.6 10.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.276 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -97.8 113.62 4.77 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.567 1.167 . . . . 0.0 111.003 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.458 HD12 ' HB3' ' A' ' 93' ' ' LYS . 16.7 mt -68.45 -130.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 0.766 . . . . 0.0 109.268 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.586 ' O ' ' CB ' ' A' ' 91' ' ' ASP . 2.7 pt20 -86.61 23.89 1.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.324 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.586 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 5.6 t0 88.71 -19.79 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.448 ' O ' ' HA ' ' A' ' 22' ' ' ALA . . . -89.16 9.93 74.99 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.509 1.131 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.458 ' HB3' HD12 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -166.33 130.69 2.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 0.767 . . . . 0.0 109.279 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -142.24 119.72 11.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.317 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -115.94 165.52 13.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.567 HD23 ' HA ' ' A' ' 86' ' ' LYS . 13.0 mt -129.49 108.41 10.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.633 ' HB2' ' CZ ' ' A' ' 85' ' ' PHE . 98.5 m-85 -107.51 138.91 42.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.673 ' HG3' HG22 ' A' ' 84' ' ' VAL . 35.7 tt0 -113.48 99.98 8.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 110.294 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.634 ' HA ' HD11 ' A' ' 14' ' ' LEU . . . -58.56 175.63 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.39 -23.47 30.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -170.1 -176.56 2.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -56.62 -39.09 73.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.296 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.84 -71.49 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -40.93 -43.35 2.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 110.293 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.75 ' HE3' HG22 ' A' ' 74' ' ' VAL . 8.9 ttp -63.13 -68.95 0.3 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.7 t -45.3 -50.95 11.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.986 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.742 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.3 OUTLIER -49.59 -59.07 4.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 110.04 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.579 ' CH2' ' HB3' ' A' ' 37' ' ' CYS . 24.0 m95 -42.95 -64.36 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 107.996 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.653 HD21 ' CG ' ' A' ' 85' ' ' PHE . 1.0 OUTLIER -44.18 -50.56 8.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.416 ' HB3' ' O ' ' A' ' 107' ' ' SER . 19.0 ttp85 -57.27 -34.96 69.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 110.296 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.966 HG12 HD22 ' A' ' 39' ' ' LEU . 23.1 t -78.84 -59.67 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.56 HG11 HD13 ' A' ' 87' ' ' LEU . 92.4 t -46.6 -38.71 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -71.33 -37.13 71.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 111' ' ' VAL . . . -68.15 -17.35 64.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.629 ' HB1' ' HA2' ' A' ' 42' ' ' GLY . . . -92.16 -45.9 8.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 29.0 mt -55.95 -62.26 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -49.19 -63.15 1.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.14 . . . . 0.0 109.23 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 6.3 t -45.37 -54.9 6.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.996 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 98.1 161.78 30.69 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.495 1.122 . . . . 0.0 110.972 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 72.06 4.81 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.548 1.815 . . . . 0.0 110.99 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 4.7 t 64.72 103.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.966 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 54.0 p -90.38 153.22 20.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.01 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 -179.994 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.964 -0.855 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.26 85.12 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 0.756 . . . . 0.0 109.995 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.3 m -55.81 -57.03 13.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 109.994 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.45 -104.37 1.31 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.4 m -93.24 125.0 37.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 0.767 . . . . 0.0 110.037 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.9 p -169.02 168.93 9.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.39 1.056 . . . . 0.0 110.017 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.61 113.66 0.37 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.546 1.154 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -123.37 104.94 9.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 0.802 . . . . 0.0 110.252 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.59 ' HA ' HD23 ' A' ' 39' ' ' LEU . 7.6 mp0 -98.41 144.89 27.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.256 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.9 ' HB2' HG11 ' A' ' 111' ' ' VAL . 7.1 ttt -143.35 128.07 18.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.478 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 8.2 pt-20 -142.07 124.41 15.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 110.264 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.44 159.72 32.68 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.539 1.149 . . . . 0.0 111.005 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.734 ' O ' HD12 ' A' ' 14' ' ' LEU . 1.8 mmt -58.49 124.44 19.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 0.795 . . . . 0.0 111.033 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.897 HD23 ' HB3' ' A' ' 97' ' ' PHE . 1.5 mp -145.64 154.77 42.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.438 ' O ' ' HA ' ' A' ' 97' ' ' PHE . 0.5 OUTLIER -97.35 97.14 8.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 108.328 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.562 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 15.6 ttp180 -87.44 120.1 28.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 110.265 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.516 ' HD2' ' CE2' ' A' ' 32' ' ' TRP . 6.0 tttt -124.86 97.92 5.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.8 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 14.2 tt0 -59.06 109.28 0.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.269 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -85.94 -48.36 8.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.462 ' HE3' ' O ' ' A' ' 25' ' ' LYS . 72.6 mmm -130.49 148.84 52.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.47 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 7.1 tt0 -106.49 -11.62 15.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.316 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.47 ' HB2' ' O ' ' A' ' 21' ' ' GLU . . . 176.98 158.89 0.35 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -39.9 109.02 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 110.941 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.01 -39.21 3.1 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.514 1.134 . . . . 0.0 111.034 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.462 ' O ' ' HE3' ' A' ' 20' ' ' MET . 0.0 OUTLIER -68.04 126.34 29.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 0.73 . . . . 0.0 109.327 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.411 ' N ' ' HE3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -105.6 139.6 39.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.8 ' HB2' ' HG2' ' A' ' 18' ' ' GLN . . . -56.38 135.83 53.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.085 . . . . 0.0 109.251 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.99 -67.45 0.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.107 . . . . 0.0 109.319 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -54.33 -66.77 0.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.346 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.4 ' HA ' ' O ' ' A' ' 18' ' ' GLN . 2.8 ttt180 52.12 50.46 18.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 110.29 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 66.0 m -119.7 167.12 12.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.979 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.516 ' CE2' ' HD2' ' A' ' 17' ' ' LYS . 86.6 m95 -88.74 127.53 35.6 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.447 ' O ' HG23 ' A' ' 35' ' ' VAL . 30.5 mt-30 -146.95 135.63 22.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -68.78 103.74 1.85 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.492 ' CG1' ' HB3' ' A' ' 46' ' ' PHE . 23.5 t -125.06 124.01 66.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.68 ' CE1' ' HB2' ' A' ' 50' ' ' ALA . 57.3 t80 -72.68 111.76 8.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.814 ' SG ' HD11 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -76.82 131.44 38.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 108.327 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.449 HG23 ' CD2' ' A' ' 36' ' ' TYR . 19.0 t -128.88 105.01 12.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 1.082 HD22 HG12 ' A' ' 111' ' ' VAL . 0.7 OUTLIER -101.32 144.07 30.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 0.0 109.276 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.454 ' HA ' ' CG ' ' A' ' 9' ' ' GLN . 1.5 tpt180 -137.83 -149.04 0.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.315 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 65.7 mtt85 -65.86 71.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 110.306 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 40' ' ' ARG . . . 74.8 55.38 5.4 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.45 ' O ' ' HA ' ' A' ' 39' ' ' LEU . 55.6 p -160.45 165.96 30.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 0.786 . . . . 0.0 110.012 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.814 HD11 ' SG ' ' A' ' 37' ' ' CYS . 46.9 tp -150.42 99.7 2.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -98.21 150.95 19.53 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.483 1.114 . . . . 0.0 111.048 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.59 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 64.2 m-85 -109.22 143.11 39.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 0.786 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.59 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 28.1 m-85 -149.89 156.07 41.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.991 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.5 ttpt -48.64 -63.99 0.93 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.482 ' H ' ' HB3' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -147.18 -176.46 5.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.324 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.68 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . . . -65.44 -18.52 65.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.3 mmmt -83.93 -17.75 39.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.425 1.078 . . . . 0.0 109.307 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.482 ' HB3' ' H ' ' A' ' 49' ' ' ASP . . . -96.55 -15.0 21.86 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.423 1.077 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -85.55 -46.21 11.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.18 -38.82 90.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.996 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.12 -19.37 58.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.123 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 79.31 35.81 28.79 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.438 1.086 . . . . 0.0 111.016 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.403 ' N ' ' O ' ' A' ' 52' ' ' ALA . 39.8 t -103.44 119.37 55.16 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.472 0.748 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 134.93 18.39 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.484 1.781 . . . . 0.0 110.937 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -47.22 -65.49 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 111.011 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -122.5 45.19 2.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.589 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 53.68 19.2 9.25 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.47 1.107 . . . . 0.0 110.964 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -75.25 159.84 31.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 0.735 . . . . 0.0 110.265 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -104.73 168.6 8.24 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 152.91 41.47 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.518 1.799 . . . . 0.0 110.965 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.441 ' HB ' ' CD1' ' A' ' 89' ' ' LEU . 27.2 m -101.19 124.42 54.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.67 127.28 32.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 110.01 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.673 HD11 HD12 ' A' ' 39' ' ' LEU . 12.8 mt -88.04 43.38 1.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.494 ' HB1' ' HG2' ' A' ' 120' ' ' PRO . . . -84.43 115.39 22.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 63.58 21.32 12.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -84.61 172.11 11.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -145.19 137.6 25.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -123.64 122.32 4.84 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.466 1.104 . . . . 0.0 110.96 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.83 158.3 44.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 0.783 . . . . 0.0 110.022 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.686 HG22 ' CE ' ' A' ' 105' ' ' MET . 45.2 t -73.74 155.07 6.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' A' ' 84' ' ' VAL . . . -105.96 77.56 1.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -67.09 -37.99 84.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 79' ' ' ARG . 1.1 m-20 -52.38 -54.45 31.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.453 ' OH ' ' CZ2' ' A' ' 32' ' ' TRP . 8.7 t80 -43.12 95.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 110.968 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -96.78 47.86 1.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 110.307 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.0 -63.04 1.41 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.258 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 13.7 mtt-85 -119.5 175.46 5.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.304 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.541 ' O ' ' CG ' ' A' ' 83' ' ' HIS . 6.8 mtpt -105.6 171.31 7.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.541 ' CG ' ' O ' ' A' ' 82' ' ' LYS . 15.7 p80 49.51 61.91 2.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.575 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.773 HG22 ' HG3' ' A' ' 98' ' ' GLN . 60.0 t -131.25 117.77 37.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.602 ' CZ ' ' HB2' ' A' ' 97' ' ' PHE . 11.4 p90 -125.37 139.41 53.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.562 1.164 . . . . 0.0 111.005 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.2 ttmt -88.35 143.78 26.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.102 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.574 HD13 HG11 ' A' ' 112' ' ' VAL . 56.5 tp -126.11 99.44 5.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -95.52 114.56 4.91 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.498 1.124 . . . . 0.0 111.016 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.441 ' CD1' ' HB ' ' A' ' 65' ' ' VAL . 5.2 mt -74.41 -175.99 2.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 0.792 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -88.5 -9.84 51.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 110.322 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -101.99 26.33 7.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 63.09 31.09 79.54 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.531 1.144 . . . . 0.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.85 108.7 20.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 0.756 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -102.6 140.96 36.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.16 . . . . 0.0 110.283 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.507 ' HB3' ' CE2' ' A' ' 97' ' ' PHE . 56.1 m-85 -136.52 149.89 48.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.464 1.102 . . . . 0.0 111.036 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.408 ' O ' ' O ' ' A' ' 15' ' ' CYS . 59.6 mt -121.12 111.98 18.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.342 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.897 ' HB3' HD23 ' A' ' 14' ' ' LEU . 95.8 m-85 -113.14 140.77 47.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.773 ' HG3' HG22 ' A' ' 84' ' ' VAL . 0.1 OUTLIER -115.46 114.07 24.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.298 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.651 ' HA ' HD11 ' A' ' 14' ' ' LEU . . . -76.67 -132.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -124.08 -41.68 2.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -150.08 -173.93 4.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -67.02 -9.05 34.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 110.337 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 104' ' ' GLU . . . -89.19 -71.66 0.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.554 ' HB3' ' HB1' ' A' ' 99' ' ' ALA . 2.0 tp10 -37.69 -44.27 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 110.307 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.686 ' CE ' HG22 ' A' ' 74' ' ' VAL . 5.2 ttp -68.15 -61.64 1.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 111.011 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.17 -39.44 0.92 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 110.005 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.799 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.3 OUTLIER -66.86 -50.81 61.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 110.008 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.574 ' CD1' ' HE1' ' A' ' 10' ' ' MET . 19.3 m95 -44.04 -62.15 1.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.574 HD21 ' CG ' ' A' ' 85' ' ' PHE . 0.4 OUTLIER -45.62 -51.59 11.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 24.7 ttp85 -55.55 -32.6 63.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 1.082 HG12 HD22 ' A' ' 39' ' ' LEU . 20.3 t -80.94 -55.69 7.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.574 HG11 HD13 ' A' ' 87' ' ' LEU . 90.7 t -50.75 -39.36 18.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -71.86 -37.27 70.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -71.71 -16.01 62.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.715 ' HB2' HD21 ' A' ' 39' ' ' LEU . . . -91.4 -42.58 10.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 32.7 mt -55.65 -59.31 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.295 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 118' ' ' SER . . . -50.65 -58.65 5.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 117' ' ' ALA . 0.2 OUTLIER -38.47 -37.01 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.985 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -72.16 -152.0 1.39 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.45 1.094 . . . . 0.0 110.967 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.494 ' HG2' ' HB1' ' A' ' 68' ' ' ALA . 18.4 Cg_endo -74.95 -167.61 0.44 Allowed 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.515 1.797 . . . . 0.0 110.996 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.7 t 70.93 -66.67 0.28 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.993 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 6.1 t -109.55 168.79 9.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.004 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 179.995 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -166.48 112.9 0.84 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 0.76 . . . . 0.0 110.036 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.5 118.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 109.988 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.27 -70.7 0.04 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.527 1.142 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.3 t -162.14 150.6 14.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 0.778 . . . . 0.0 110.002 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -54.85 151.06 9.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 109.975 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.18 -157.24 9.28 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -85.26 93.78 8.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 0.76 . . . . 0.0 110.315 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.4 ' HA ' HD23 ' A' ' 39' ' ' LEU . 44.5 mt-30 -105.62 147.11 28.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.16 . . . . 0.0 110.265 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.711 ' HB2' HG11 ' A' ' 111' ' ' VAL . 7.1 ttt -146.48 131.46 18.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 111.048 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.435 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 7.0 pt-20 -144.82 131.44 19.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.301 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -172.51 163.29 35.3 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.418 1.074 . . . . 0.0 111.041 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.662 ' O ' HD12 ' A' ' 14' ' ' LEU . 1.0 OUTLIER -66.46 116.55 7.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 0.789 . . . . 0.0 110.955 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.662 HD12 ' O ' ' A' ' 13' ' ' MET . 2.0 mp -134.97 152.41 51.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -91.53 96.47 10.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 108.273 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.575 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 16.7 ttp180 -88.11 119.48 28.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.334 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.439 ' O ' ' OE2' ' A' ' 19' ' ' GLU . 2.3 tttt -124.34 97.3 5.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.456 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 21.5 tt0 -61.59 123.58 18.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.477 ' OE2' ' N ' ' A' ' 96' ' ' LEU . 1.1 mp0 -106.6 -51.98 2.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.403 ' SD ' ' OE1' ' A' ' 94' ' ' GLU . 11.9 mtp -120.9 154.88 35.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.483 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 11.4 tt0 -113.43 -11.62 13.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.148 . . . . 0.0 110.294 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.483 ' HB2' ' O ' ' A' ' 21' ' ' GLU . . . 176.09 173.52 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -47.88 114.5 0.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 60.82 18.41 53.22 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.409 ' CG ' ' HB3' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -101.8 118.31 36.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 0.742 . . . . 0.0 109.339 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.5 pttm -85.9 124.39 32.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.266 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.456 ' CB ' ' HG2' ' A' ' 18' ' ' GLN . . . -67.8 145.2 54.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.22 -77.78 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.0 p-10 -94.77 126.98 40.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.3 mtm180 -130.72 61.72 1.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.66 158.3 18.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 110.018 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.43 ' CZ2' ' OH ' ' A' ' 78' ' ' TYR . 86.4 m95 -80.47 126.93 31.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 108.006 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.415 ' O ' HG23 ' A' ' 35' ' ' VAL . 43.0 mt-30 -146.95 140.37 25.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.304 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.1 p-10 -70.39 103.96 2.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.456 ' CG1' ' HB3' ' A' ' 46' ' ' PHE . 26.0 t -120.7 126.14 74.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.123 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.442 ' HD2' ' HB2' ' A' ' 53' ' ' ALA . 10.0 t80 -72.65 106.45 4.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 111.031 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.62 ' SG ' ' CE1' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -77.66 128.42 34.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 108.285 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 64.3 t -125.75 104.93 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.87 ' CD2' HG12 ' A' ' 111' ' ' VAL . 0.6 OUTLIER -100.98 139.63 36.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.271 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 42' ' ' GLY . 2.3 tpt180 -134.97 -148.44 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 110.271 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.99 71.5 0.06 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 40' ' ' ARG . . . 74.19 56.07 5.4 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.483 1.114 . . . . 0.0 110.966 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.436 ' O ' ' HA ' ' A' ' 39' ' ' LEU . 59.3 p -160.31 166.54 29.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 0.768 . . . . 0.0 110.004 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.606 HD11 ' SG ' ' A' ' 37' ' ' CYS . 40.9 tp -150.23 98.82 2.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -97.92 146.03 18.04 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.522 1.139 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.589 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 65.4 m-85 -108.83 141.21 41.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 0.79 . . . . 0.0 110.952 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.589 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 21.5 m-85 -149.55 152.77 36.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.976 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.512 ' O ' ' HE1' ' A' ' 13' ' ' MET . 8.0 tptm -44.56 -62.39 1.21 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.483 ' HA ' ' HE3' ' A' ' 13' ' ' MET . 1.4 m-20 -155.98 -175.68 5.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.77 -13.52 34.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.6 mmmt -79.38 -38.69 34.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.12 -55.29 5.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.489 ' HA ' ' CD2' ' A' ' 47' ' ' TYR . . . -48.45 -42.14 31.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.3 t -59.46 -46.79 87.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.036 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -80.66 2.07 27.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 109.343 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 62.75 40.82 99.68 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 81.5 t -106.41 121.12 46.37 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.505 0.768 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 133.11 16.2 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.533 1.807 . . . . 0.0 110.965 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.445 ' CE2' ' CE1' ' A' ' 60' ' ' HIS . 25.7 t80 -47.08 -67.43 0.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.445 ' CE1' ' CE2' ' A' ' 59' ' ' TYR . 0.3 OUTLIER -117.22 47.59 1.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.607 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 48.72 23.72 3.6 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.538 1.148 . . . . 0.0 111.019 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -81.16 159.41 24.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 0.74 . . . . 0.0 110.309 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.406 ' HB ' ' HD2' ' A' ' 64' ' ' PRO . 0.0 OUTLIER -105.13 168.9 7.73 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.406 ' HD2' ' HB ' ' A' ' 63' ' ' VAL . 18.3 Cg_endo -74.98 150.94 38.99 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.466 1.772 . . . . 0.0 111.022 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.435 ' CG2' ' HB3' ' A' ' 44' ' ' LEU . 27.2 m -99.78 124.89 53.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.277 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 58.3 m -73.47 127.39 32.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.969 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.612 HD11 HD12 ' A' ' 39' ' ' LEU . 9.3 mt -88.39 45.44 1.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -85.98 109.09 18.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.5 mtm180 69.87 19.39 7.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.423 ' HB3' HG12 ' A' ' 116' ' ' ILE . . . -81.21 175.71 10.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -149.99 135.0 17.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 110.321 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -119.63 126.8 6.88 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 110.951 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.79 159.78 40.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 0.748 . . . . 0.0 109.997 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.676 HG22 ' CE ' ' A' ' 105' ' ' MET . 37.7 t -79.43 151.38 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' A' ' 84' ' ' VAL . . . -97.38 80.97 2.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -72.29 -28.92 63.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 110.981 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.24 -53.82 38.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.43 ' OH ' ' CZ2' ' A' ' 32' ' ' TRP . 9.4 t80 -42.9 99.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -100.62 61.75 1.02 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.097 . . . . 0.0 110.335 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.38 -72.32 0.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -105.91 153.31 22.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.533 ' O ' ' CG ' ' A' ' 83' ' ' HIS . 8.8 mttp -89.26 171.0 10.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.607 ' CE1' ' HG2' ' A' ' 98' ' ' GLN . 13.7 p80 49.36 63.8 2.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.607 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.8 HG22 ' HG3' ' A' ' 98' ' ' GLN . 62.8 t -130.57 117.29 38.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.601 ' CZ ' ' HB2' ' A' ' 97' ' ' PHE . 11.8 p90 -124.59 134.21 53.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 111.024 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.405 ' HA ' ' O ' ' A' ' 95' ' ' TYR . 33.5 ttmt -87.28 140.38 29.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.51 HD13 HG11 ' A' ' 112' ' ' VAL . 45.7 tp -122.59 101.06 7.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -99.33 114.21 4.96 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.4 ' CD1' ' HB ' ' A' ' 65' ' ' VAL . 7.4 mt -75.18 171.93 13.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 0.785 . . . . 0.0 109.359 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -75.96 -14.6 60.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 110.281 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.98 16.6 9.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.349 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 69.17 32.88 72.94 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.46 1.1 . . . . 0.0 111.026 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.411 ' NZ ' ' HB2' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -102.66 110.46 22.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 0.754 . . . . 0.0 109.327 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.403 ' OE1' ' SD ' ' A' ' 20' ' ' MET . 0.7 OUTLIER -100.43 136.89 39.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.318 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.408 ' C ' ' OE2' ' A' ' 19' ' ' GLU . 52.3 m-85 -133.84 154.21 51.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 111.016 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.477 ' N ' ' OE2' ' A' ' 19' ' ' GLU . 47.3 mt -125.5 121.26 33.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.252 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.654 ' HB3' HD23 ' A' ' 14' ' ' LEU . 77.7 m-85 -121.2 150.22 41.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.115 . . . . 0.0 110.954 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.8 ' HG3' HG22 ' A' ' 84' ' ' VAL . 1.7 tt0 -127.91 108.88 11.07 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.46 1.1 . . . . 0.0 110.295 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.603 ' HA ' HD11 ' A' ' 14' ' ' LEU . . . -74.47 -132.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.13 -42.53 2.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.332 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -148.59 -175.49 4.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 109.301 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -65.84 -10.14 35.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.145 . . . . 0.0 110.326 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 104' ' ' GLU . . . -87.55 -71.67 0.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.56 ' HB3' ' HB1' ' A' ' 99' ' ' ALA . 6.5 tp10 -38.45 -42.97 0.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.103 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.676 ' CE ' HG22 ' A' ' 74' ' ' VAL . 5.8 ttp -69.58 -61.06 1.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 111.015 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.1 m -40.64 -39.89 1.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 110.007 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.852 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.3 OUTLIER -65.15 -51.51 60.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.023 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.525 ' CE2' ' HG2' ' A' ' 10' ' ' MET . 26.1 m95 -43.73 -64.54 0.64 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 108.003 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.578 HD21 ' CG ' ' A' ' 85' ' ' PHE . 0.5 OUTLIER -44.57 -51.89 8.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.257 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.403 ' HB3' ' O ' ' A' ' 107' ' ' SER . 32.1 ttp180 -54.56 -33.0 59.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.87 HG12 ' CD2' ' A' ' 39' ' ' LEU . 16.1 t -81.17 -57.58 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.51 HG11 HD13 ' A' ' 87' ' ' LEU . 93.7 t -48.54 -40.38 10.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -71.41 -36.11 71.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -73.06 -16.29 61.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.343 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.478 ' HB2' HD21 ' A' ' 39' ' ' LEU . . . -92.01 -44.35 8.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.423 HG12 ' HB3' ' A' ' 70' ' ' ALA . 40.4 mt -53.66 -60.14 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -49.48 -60.54 2.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.39 -55.6 1.73 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 109.966 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 91.55 157.19 33.46 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.547 1.154 . . . . 0.0 111.022 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 168.02 25.75 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.526 1.803 . . . . 0.0 111.017 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.24 141.86 58.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.994 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.69 -56.87 4.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.975 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.468 1.105 . . . . 0.0 111.011 179.957 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 m 48.62 79.89 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 0.748 . . . . 0.0 109.993 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.9 t -156.07 -57.98 0.09 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.151 . . . . 0.0 110.0 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.82 115.8 0.72 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.5 1.125 . . . . 0.0 111.035 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 t -154.67 84.42 1.1 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 0.767 . . . . 0.0 109.975 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 t -177.95 124.92 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.988 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.38 58.12 9.2 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -126.8 120.2 28.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 0.749 . . . . 0.0 110.288 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.698 ' HA ' HD23 ' A' ' 39' ' ' LEU . 5.1 pm0 -104.61 144.74 31.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.639 ' HB2' HG11 ' A' ' 111' ' ' VAL . 9.0 ttt -143.32 134.56 25.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.482 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 1.3 pm0 -144.54 124.37 13.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 110.323 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -168.94 161.24 34.91 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.514 1.134 . . . . 0.0 111.011 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.73 ' O ' HD12 ' A' ' 14' ' ' LEU . 1.9 mmt -58.99 126.18 26.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 0.721 . . . . 0.0 111.039 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.908 HD23 ' HB3' ' A' ' 97' ' ' PHE . 1.4 mp -146.48 154.86 42.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.157 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.436 ' O ' ' HA ' ' A' ' 97' ' ' PHE . 0.5 OUTLIER -96.88 95.69 8.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 108.343 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.565 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 12.2 ttp180 -87.78 123.69 32.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.512 ' HD2' ' CE2' ' A' ' 32' ' ' TRP . 21.5 tttt -124.57 94.95 4.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.705 ' HG2' ' HB1' ' A' ' 27' ' ' ALA . 2.0 tp60 -60.08 122.54 14.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 110.32 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -107.06 -48.86 3.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.239 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.456 ' CE ' ' O ' ' A' ' 25' ' ' LYS . 90.2 mmm -130.53 140.65 50.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 111.054 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.566 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 6.9 tt0 -107.78 -9.57 15.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.566 ' HB2' ' O ' ' A' ' 21' ' ' GLU . . . 172.09 153.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.343 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.549 ' CZ ' ' HB3' ' A' ' 91' ' ' ASP . 84.0 m-85 -39.65 115.45 0.52 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.19 -43.54 3.26 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.551 1.157 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.479 ' CE ' ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -60.11 119.99 8.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 0.797 . . . . 0.0 109.319 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.479 ' O ' ' CE ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -92.5 139.51 30.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.327 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.705 ' HB1' ' HG2' ' A' ' 18' ' ' GLN . . . -64.33 115.09 4.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.62 -67.56 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -92.28 107.56 19.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -107.86 54.8 0.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.32 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.58 163.99 17.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 110.025 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.527 ' CZ2' ' OH ' ' A' ' 78' ' ' TYR . 86.9 m95 -85.68 132.99 34.05 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.505 ' O ' HG23 ' A' ' 35' ' ' VAL . 82.1 mm-40 -147.42 134.51 20.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.241 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -66.48 103.79 1.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 33' ' ' GLN . 25.7 t -126.17 123.98 64.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 0.0 109.29 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.419 ' CD2' HG23 ' A' ' 38' ' ' VAL . 53.0 t80 -71.32 114.88 9.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 111.02 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.762 ' SG ' HD11 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -80.3 130.84 35.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 108.326 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.419 HG23 ' CD2' ' A' ' 36' ' ' TYR . 31.8 t -128.27 104.74 12.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.349 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.981 HD22 HG12 ' A' ' 111' ' ' VAL . 0.8 OUTLIER -101.1 144.12 30.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 42' ' ' GLY . 4.0 tpt180 -136.65 -148.04 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.339 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.67 69.09 0.07 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.503 1.127 . . . . 0.0 110.273 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 40' ' ' ARG . . . 77.28 56.2 4.06 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.436 ' O ' ' HA ' ' A' ' 39' ' ' LEU . 54.0 p -160.17 167.01 28.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 0.764 . . . . 0.0 110.011 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.762 HD11 ' SG ' ' A' ' 37' ' ' CYS . 52.3 tp -150.1 99.36 2.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -98.32 151.76 19.66 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.504 1.128 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.616 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 61.4 m-85 -109.93 141.67 42.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.753 . . . . 0.0 110.976 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.616 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 19.7 m-85 -149.37 157.85 43.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.538 ' O ' ' HE3' ' A' ' 13' ' ' MET . 0.1 OUTLIER -50.2 -67.05 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.416 ' HA ' ' HE2' ' A' ' 13' ' ' MET . 1.4 m-20 -151.28 -175.75 5.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.95 -13.88 29.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.279 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.57 -35.82 45.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -81.81 -42.19 20.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.98 -37.02 71.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.3 t -71.43 -37.75 71.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.013 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.526 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -88.86 12.54 14.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 47.48 40.38 16.26 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 55' ' ' ALA . 95.9 t -104.51 120.71 49.62 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.53 0.782 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 134.75 18.32 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.485 1.781 . . . . 0.0 111.012 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -48.17 -66.7 0.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -119.24 46.27 1.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.588 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 48.85 30.41 9.07 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.517 1.136 . . . . 0.0 111.024 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -87.19 162.74 17.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 110.25 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -105.77 168.53 8.13 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.45 1.094 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 149.36 36.87 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.549 1.815 . . . . 0.0 111.053 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.41 HG22 ' O ' ' A' ' 44' ' ' LEU . 34.3 m -97.24 129.35 47.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.73 124.67 27.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.023 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.754 HD11 HD12 ' A' ' 39' ' ' LEU . 11.7 mt -84.14 49.9 1.74 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.418 ' HB1' ' HD2' ' A' ' 69' ' ' ARG . . . -83.89 118.99 24.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.132 . . . . 0.0 109.253 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.418 ' HD2' ' HB1' ' A' ' 68' ' ' ALA . 0.2 OUTLIER 61.81 14.96 6.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.447 ' O ' HD13 ' A' ' 116' ' ' ILE . . . -78.93 167.87 20.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.54 146.69 26.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 0.0 110.335 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.451 ' C ' ' CD1' ' A' ' 109' ' ' LEU . . . -116.47 123.38 5.83 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.9 t -138.0 152.47 48.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.469 0.747 . . . . 0.0 110.037 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.87 HG22 ' HE3' ' A' ' 105' ' ' MET . 58.7 t -73.88 141.52 16.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -96.94 53.08 1.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.34 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -52.67 -19.33 2.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.945 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.85 -39.66 69.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.527 ' OH ' ' CZ2' ' A' ' 32' ' ' TRP . 21.9 t80 -52.09 115.92 1.94 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 111.028 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.1 mmt180 -112.32 78.67 1.14 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 110.269 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.34 -56.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -102.67 -179.33 3.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.281 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 19.5 mttp -120.14 150.94 39.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.44 ' HA ' ' SD ' ' A' ' 105' ' ' MET . 0.0 OUTLIER 46.06 78.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.597 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.424 HG22 ' CB ' ' A' ' 98' ' ' GLN . 84.0 t -136.0 128.98 46.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.706 ' CG ' HD21 ' A' ' 109' ' ' LEU . 39.9 p90 -121.55 138.97 54.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.994 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.524 ' HA ' HD23 ' A' ' 96' ' ' LEU . 0.1 OUTLIER -86.46 118.13 25.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.508 HD13 HG11 ' A' ' 112' ' ' VAL . 29.2 tp -94.39 98.26 10.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -94.68 114.34 4.8 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.457 1.098 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.693 HD12 ' HD2' ' A' ' 93' ' ' LYS . 5.8 mt -70.79 -119.61 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 0.74 . . . . 0.0 109.283 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.581 ' O ' ' CB ' ' A' ' 91' ' ' ASP . 0.4 OUTLIER -83.82 20.7 1.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.337 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.581 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 25.7 t0 89.03 -25.26 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.466 ' O ' ' CA ' ' A' ' 22' ' ' ALA . . . -88.03 -16.95 58.64 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.693 ' HD2' HD12 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -124.89 120.21 31.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 0.737 . . . . 0.0 109.315 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -127.53 144.39 51.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.462 ' HB3' ' CE2' ' A' ' 97' ' ' PHE . 79.4 m-85 -140.87 162.93 34.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.524 HD23 ' HA ' ' A' ' 86' ' ' LYS . 72.0 mt -132.48 112.01 11.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.908 ' HB3' HD23 ' A' ' 14' ' ' LEU . 92.7 m-85 -115.17 134.59 55.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.976 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.424 ' CB ' HG22 ' A' ' 84' ' ' VAL . 7.9 tt0 -106.12 106.41 16.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 110.344 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.701 ' HA ' HD11 ' A' ' 14' ' ' LEU . . . -70.29 159.77 33.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.42 ' CG ' ' N ' ' A' ' 101' ' ' ASP . 0.0 OUTLIER -58.67 -47.08 85.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.42 ' N ' ' CG ' ' A' ' 100' ' ' LYS . 1.3 m-20 -156.23 -175.91 5.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.343 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -51.81 -31.05 25.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.346 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.33 -71.2 0.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.566 ' HG3' ' CD1' ' A' ' 108' ' ' TRP . 1.6 tt0 -46.99 -43.37 19.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.282 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.87 ' HE3' HG22 ' A' ' 74' ' ' VAL . 5.0 ttp -62.04 -69.65 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.959 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.3 t -43.01 -49.51 6.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.969 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.888 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.3 OUTLIER -58.37 -55.83 29.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.993 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.566 ' CD1' ' HG3' ' A' ' 104' ' ' GLU . 19.5 m95 -43.91 -66.84 0.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 107.983 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.706 HD21 ' CG ' ' A' ' 85' ' ' PHE . 3.9 mm? -43.95 -50.55 8.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.346 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 -57.27 -41.97 80.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 0.0 110.306 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.981 HG12 HD22 ' A' ' 39' ' ' LEU . 17.8 t -71.62 -60.71 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.508 HG11 HD13 ' A' ' 87' ' ' LEU . 77.2 t -43.84 -41.15 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -70.74 -38.4 73.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 111' ' ' VAL . . . -69.59 -20.45 63.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.785 ' HB2' HD21 ' A' ' 39' ' ' LEU . . . -86.67 -47.58 9.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.447 HD13 ' O ' ' A' ' 70' ' ' ALA . 20.3 mt -45.04 -61.82 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 116' ' ' ILE . . . -40.08 -59.35 1.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 119' ' ' GLY . 0.2 OUTLIER -57.45 -68.25 0.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.988 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 118' ' ' SER . . . 34.58 -117.65 0.24 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 146.56 32.84 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.537 1.809 . . . . 0.0 110.988 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 95.3 p -126.28 156.4 40.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.113 . . . . 0.0 109.981 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 52.1 m 47.69 87.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.03 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.49 1.119 . . . . 0.0 110.995 -179.996 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.1 t -91.84 106.46 18.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 0.785 . . . . 0.0 110.02 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.2 m -163.09 143.15 9.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.979 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.61 -109.93 2.36 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.554 1.159 . . . . 0.0 111.004 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 t -61.81 163.14 7.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 0.771 . . . . 0.0 109.975 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.0 m -99.29 80.3 2.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.963 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.23 156.75 2.33 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.456 1.097 . . . . 0.0 111.01 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -87.46 101.12 13.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 0.732 . . . . 0.0 110.283 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.493 ' HA ' HD23 ' A' ' 39' ' ' LEU . 0.5 OUTLIER -103.59 155.38 18.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.298 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.58 ' CB ' HG11 ' A' ' 111' ' ' VAL . 7.3 ttt -157.09 127.89 6.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.461 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 11.6 pt-20 -143.06 123.25 13.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.305 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.21 160.01 33.55 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.457 1.098 . . . . 0.0 111.048 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.732 ' O ' HD12 ' A' ' 14' ' ' LEU . 2.3 mmt -58.65 125.02 21.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 0.766 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.773 HD23 ' HB3' ' A' ' 97' ' ' PHE . 1.4 mp -146.87 150.65 35.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.265 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.437 ' O ' ' HA ' ' A' ' 97' ' ' PHE . 0.3 OUTLIER -93.67 96.32 9.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 108.319 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.56 ' HG3' ' CZ ' ' A' ' 97' ' ' PHE . 6.6 ttp180 -87.78 114.88 24.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 110.318 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.506 ' HD2' ' CE2' ' A' ' 32' ' ' TRP . 8.5 tttm -124.4 105.54 9.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.724 ' CD ' ' HB2' ' A' ' 27' ' ' ALA . 0.9 OUTLIER -58.53 147.76 30.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.289 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.45 ' N ' ' OE1' ' A' ' 18' ' ' GLN . 1.6 mm-40 -121.94 -46.96 2.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.256 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.43 ' N ' ' OE1' ' A' ' 18' ' ' GLN . 24.1 mtp -137.99 144.91 41.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.102 . . . . 0.0 110.985 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.467 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 10.8 tt0 -98.88 -11.5 21.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.275 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.467 ' HB2' ' O ' ' A' ' 21' ' ' GLU . . . 176.61 169.71 0.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -47.19 112.7 0.56 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.987 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.43 28.57 73.8 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.522 1.139 . . . . 0.0 110.963 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.51 ' CE ' ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -128.57 132.15 48.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 0.796 . . . . 0.0 109.287 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.51 ' O ' ' CE ' ' A' ' 25' ' ' LYS . 15.9 pttt -106.96 146.84 30.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.724 ' HB2' ' CD ' ' A' ' 18' ' ' GLN . . . -69.98 127.28 32.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.55 -76.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -110.24 95.96 5.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.594 ' CD ' ' HB3' ' A' ' 27' ' ' ALA . 0.5 OUTLIER -122.54 95.88 4.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.304 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.3 m -119.34 165.05 14.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.997 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.506 ' CE2' ' HD2' ' A' ' 17' ' ' LYS . 90.8 m95 -68.06 119.93 13.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 108.009 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.558 ' O ' HG23 ' A' ' 35' ' ' VAL . 31.3 mt-30 -142.61 131.1 22.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -64.34 103.38 0.63 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 33' ' ' GLN . 41.0 t -124.04 122.85 65.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.524 ' CE1' ' HB2' ' A' ' 50' ' ' ALA . 57.7 t80 -72.28 111.05 7.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 111.022 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.707 ' SG ' HD11 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -74.07 132.27 42.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 108.312 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 55.9 t -130.54 105.87 12.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.35 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 1.111 HD22 HG12 ' A' ' 111' ' ' VAL . 0.6 OUTLIER -99.71 139.56 35.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 178.08 137.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.266 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 67.88 7.92 6.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 110.312 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.725 ' HA2' ' HB1' ' A' ' 115' ' ' ALA . . . 87.78 27.88 25.42 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 17.4 p -134.29 134.61 42.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 0.761 . . . . 0.0 109.998 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.707 HD11 ' SG ' ' A' ' 37' ' ' CYS . 33.5 tp -96.55 112.71 24.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.259 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -103.27 143.07 15.67 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.46 1.1 . . . . 0.0 111.032 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.541 ' HB3' HG11 ' A' ' 35' ' ' VAL . 35.1 m-85 -104.8 139.97 38.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.771 . . . . 0.0 110.949 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.512 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 46.7 m-85 -148.35 168.65 22.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 111.04 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.8 ttpp -64.81 -58.84 5.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.568 ' H ' ' HB3' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -150.59 -178.36 6.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.318 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.524 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . . . -63.4 -16.4 60.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.5 mmtt -87.51 -18.9 28.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.568 ' HB3' ' H ' ' A' ' 49' ' ' ASP . . . -95.11 -15.53 23.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 109.258 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.506 ' HA ' ' CD2' ' A' ' 47' ' ' TYR . . . -83.24 -46.8 12.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.5 t -67.8 -39.83 83.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.997 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.32 -10.84 60.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.96 26.88 71.56 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 52' ' ' ALA . 58.1 t -94.34 113.8 61.75 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 139.04 23.87 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.477 1.777 . . . . 0.0 111.045 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -48.17 -64.96 0.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -125.46 40.39 3.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.148 . . . . 0.0 109.556 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 58.38 16.35 27.8 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.512 1.132 . . . . 0.0 111.004 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -79.88 135.27 36.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 0.747 . . . . 0.0 110.279 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.408 HG13 ' H ' ' A' ' 63' ' ' VAL . 0.8 OUTLIER -77.24 168.9 24.14 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 143.35 28.95 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.498 1.788 . . . . 0.0 110.977 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 16.9 m -88.09 123.62 40.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.366 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.0 p -66.79 128.79 37.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.1 . . . . 0.0 109.995 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.619 HD11 HD12 ' A' ' 39' ' ' LEU . 9.0 mt -93.2 28.67 2.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -78.58 113.93 17.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.5 mtm180 69.18 18.4 8.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.297 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -79.38 171.54 15.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.45 ' O ' HD12 ' A' ' 87' ' ' LEU . 2.6 mm-40 -129.76 129.19 43.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.268 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -118.26 112.39 2.38 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.111 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.21 160.18 39.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 110.004 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.562 HG21 ' CZ ' ' A' ' 76' ' ' PHE . 0.9 OUTLIER -84.83 163.69 2.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -125.65 67.14 1.16 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.562 ' CZ ' HG21 ' A' ' 74' ' ' VAL . 12.0 m-85 -57.39 -23.94 52.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 111.051 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.76 -28.04 63.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -80.1 108.21 13.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 111.012 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.2 mtm-85 -93.34 -33.85 13.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.269 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.1 mmtp -44.51 -79.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.454 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 2.9 mpt_? -92.54 117.52 30.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.283 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.27 162.79 24.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.551 ' CD2' ' HA ' ' A' ' 101' ' ' ASP . 0.1 OUTLIER 50.43 66.16 1.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.578 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.454 ' CG2' ' O ' ' A' ' 81' ' ' ARG . 70.9 t -131.04 121.61 49.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.598 ' CG ' HD21 ' A' ' 109' ' ' LEU . 14.8 p90 -119.71 151.21 39.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 111.009 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.5 ttmt -98.55 137.57 37.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.45 HD12 ' O ' ' A' ' 71' ' ' GLN . 47.3 tp -119.87 103.61 9.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -99.92 114.97 5.18 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.476 1.11 . . . . 0.0 110.976 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 8.0 mt -75.96 170.55 16.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 0.775 . . . . 0.0 109.257 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -75.64 -14.99 60.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.269 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -91.32 21.28 4.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 64.82 34.31 89.55 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.542 1.151 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 20' ' ' MET . 0.0 OUTLIER -105.49 113.46 27.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 0.742 . . . . 0.0 109.286 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -103.58 132.62 49.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.52 ' CE1' ' HG2' ' A' ' 18' ' ' GLN . 46.0 m-85 -129.16 158.54 38.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 96' ' ' LEU . 17.0 mt -125.16 121.7 34.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.773 ' HB3' HD23 ' A' ' 14' ' ' LEU . 98.1 m-85 -124.0 130.19 52.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 111.017 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.431 ' HG3' ' CG2' ' A' ' 84' ' ' VAL . 33.4 tt0 -104.16 119.81 39.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.539 ' HA ' HD11 ' A' ' 14' ' ' LEU . . . -83.88 170.9 13.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.401 ' O ' ' CG ' ' A' ' 101' ' ' ASP . 0.1 OUTLIER -75.97 -23.66 55.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.108 . . . . 0.0 109.291 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.551 ' HA ' ' CD2' ' A' ' 83' ' ' HIS . 61.0 m-20 -168.29 -175.92 2.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.253 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -63.22 -29.72 71.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.291 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.95 -66.87 0.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.511 ' HB3' ' HB1' ' A' ' 99' ' ' ALA . 0.4 OUTLIER -38.76 -47.53 1.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.553 ' SD ' ' N ' ' A' ' 106' ' ' SER . 3.1 tmm? -62.55 -69.62 0.25 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.553 ' N ' ' SD ' ' A' ' 105' ' ' MET . 1.3 t -35.37 -47.25 0.42 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.999 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.889 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.4 OUTLIER -57.95 -52.38 65.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.016 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.57 ' CH2' ' HB3' ' A' ' 37' ' ' CYS . 33.4 m95 -47.52 -66.13 0.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 108.028 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.598 HD21 ' CG ' ' A' ' 85' ' ' PHE . 1.2 mm? -42.85 -48.78 5.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 15.3 ttt85 -59.17 -38.0 78.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 110.29 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 1.111 HG12 HD22 ' A' ' 39' ' ' LEU . 21.7 t -76.63 -59.88 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.47 ' N ' ' O ' ' A' ' 108' ' ' TRP . 83.5 t -46.42 -36.58 2.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ASN . . . . . 0.406 ' ND2' ' O ' ' A' ' 109' ' ' LEU . 14.1 m-80 -71.84 -37.75 70.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 111' ' ' VAL . . . -68.12 -16.48 64.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.725 ' HB1' ' HA2' ' A' ' 42' ' ' GLY . . . -92.98 -38.87 11.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 67.9 mt -63.35 -56.24 18.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 109.352 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -52.5 -47.05 66.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.4 m -78.86 54.41 1.55 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.026 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -111.16 -164.29 18.26 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 116.07 4.47 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.544 1.813 . . . . 0.0 110.979 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.74 169.51 2.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.996 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 72.47 -61.52 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.008 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 O-C-N 124.455 1.097 . . . . 0.0 111.007 -179.982 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t 63.34 106.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.572 0.807 . . . . 0.0 110.001 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.4 t 50.65 85.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.006 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.81 150.54 7.7 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.549 1.156 . . . . 0.0 110.931 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.82 152.56 17.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 0.766 . . . . 0.0 110.016 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.5 p -92.87 -67.71 0.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.994 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.11 -176.08 36.41 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.518 1.136 . . . . 0.0 110.981 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -121.41 127.4 51.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 110.257 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.746 ' HA ' HD23 ' A' ' 39' ' ' LEU . 0.5 OUTLIER -122.58 146.75 47.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.661 ' HB2' HG11 ' A' ' 111' ' ' VAL . 7.9 ttt -146.81 129.57 16.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 110.96 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.478 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 7.7 pt-20 -138.64 126.58 22.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.59 153.62 22.1 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.495 1.122 . . . . 0.0 110.962 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.639 ' O ' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -58.69 123.22 15.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 0.782 . . . . 0.0 110.959 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.639 HD12 ' O ' ' A' ' 13' ' ' MET . 1.2 mp -141.25 157.55 45.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -96.43 96.3 8.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.128 . . . . 0.0 108.254 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.529 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 8.8 ttp180 -88.63 121.18 30.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.508 ' HD2' ' CE2' ' A' ' 32' ' ' TRP . 16.5 tttt -124.86 98.3 5.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.721 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 38.7 tt0 -60.34 109.04 0.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.287 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -90.41 -46.48 8.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.27 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.467 ' CE ' ' O ' ' A' ' 25' ' ' LYS . 5.2 mtp -126.98 143.11 51.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.518 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 9.9 tt0 -104.04 -10.76 17.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.518 ' HB2' ' O ' ' A' ' 21' ' ' GLU . . . 174.84 171.84 0.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -48.4 113.83 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 110.979 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 65.54 17.83 64.97 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.454 1.096 . . . . 0.0 110.978 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.467 ' O ' ' CE ' ' A' ' 20' ' ' MET . 0.0 OUTLIER -109.21 127.58 54.35 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 0.78 . . . . 0.0 109.273 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.91 141.68 32.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.721 ' HB2' ' HG2' ' A' ' 18' ' ' GLN . . . -72.49 132.29 43.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.24 -68.05 0.21 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.258 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -57.43 -68.27 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.428 ' HA ' ' O ' ' A' ' 18' ' ' GLN . 5.5 ttt-85 51.47 47.66 24.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.47 147.81 44.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.035 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.579 ' CZ2' ' OH ' ' A' ' 78' ' ' TYR . 81.3 m95 -68.59 125.59 26.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 108.002 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.463 ' O ' HG23 ' A' ' 35' ' ' VAL . 67.7 mt-30 -146.26 131.36 18.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.54 1.15 . . . . 0.0 110.265 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -66.29 103.75 1.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.475 ' CG1' ' HB3' ' A' ' 46' ' ' PHE . 46.3 t -123.9 124.59 69.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.702 ' CE1' ' HB2' ' A' ' 50' ' ' ALA . 21.8 t80 -69.49 114.82 8.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.862 ' SG ' HD11 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -80.75 126.59 31.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 108.316 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.436 HG23 ' HD2' ' A' ' 36' ' ' TYR . 6.3 t -124.6 103.99 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.948 HD22 HG12 ' A' ' 111' ' ' VAL . 1.2 tt -98.41 144.93 27.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.47 ' O ' ' N ' ' A' ' 42' ' ' GLY . 3.1 tpt180 -141.35 -146.41 0.19 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.12 66.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.329 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.786 ' HA2' ' HB1' ' A' ' 115' ' ' ALA . . . 73.28 50.15 13.31 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.483 1.115 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.6 m -160.35 122.28 3.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 0.75 . . . . 0.0 110.03 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.862 HD11 ' SG ' ' A' ' 37' ' ' CYS . 27.0 tp -105.69 105.61 15.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -99.55 150.59 19.16 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.498 1.124 . . . . 0.0 111.033 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.518 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 60.1 m-85 -109.47 138.52 45.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 0.748 . . . . 0.0 110.983 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.518 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 15.5 m-85 -142.55 157.23 44.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.996 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 10.3 tptt -48.65 -61.74 1.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.478 ' HA ' ' CE ' ' A' ' 13' ' ' MET . 0.6 OUTLIER -155.5 -173.06 4.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.702 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . . . -67.03 -10.54 50.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 36.4 mmtt -82.71 -23.29 34.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.504 ' HB1' ' O ' ' A' ' 57' ' ' VAL . . . -96.71 -31.02 12.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.34 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.6 -41.41 90.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.341 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.7 t -78.93 -25.08 43.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.944 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.848 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -91.29 11.86 22.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 45.42 27.8 2.03 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.466 1.104 . . . . 0.0 111.013 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.848 HG23 ' O ' ' A' ' 55' ' ' ALA . 45.9 t -99.92 121.6 53.58 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.521 0.777 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 147.68 34.33 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.487 1.782 . . . . 0.0 110.992 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -56.03 -67.17 0.32 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 110.966 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -120.73 45.63 2.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.103 . . . . 0.0 109.629 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 55.84 17.11 14.14 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.458 1.098 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -73.59 155.82 38.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 0.739 . . . . 0.0 110.349 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -102.89 168.46 8.79 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 147.72 34.31 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.499 1.789 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.551 HG22 ' O ' ' A' ' 44' ' ' LEU . 11.8 m -95.61 121.89 46.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 31.4 t -54.84 129.96 39.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.983 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.708 HD11 HD12 ' A' ' 39' ' ' LEU . 91.1 mt -99.94 50.22 0.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.663 ' O ' HG23 ' A' ' 116' ' ' ILE . . . -58.23 -116.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 70' ' ' ALA . 1.0 OUTLIER -83.0 14.82 3.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 110.28 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.486 ' O ' HG21 ' A' ' 116' ' ' ILE . . . -42.02 163.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.611 ' O ' HD12 ' A' ' 87' ' ' LEU . 14.0 pt20 -123.48 133.69 54.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -124.14 109.2 1.24 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.458 1.099 . . . . 0.0 111.024 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 70.5 m -137.11 155.78 49.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 0.767 . . . . 0.0 110.023 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.657 HG22 ' HE3' ' A' ' 105' ' ' MET . 55.9 t -64.84 155.98 6.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.523 ' O ' ' N ' ' A' ' 77' ' ' ASP . . . -77.36 -53.16 8.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.254 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.441 ' O ' ' N ' ' A' ' 78' ' ' TYR . 2.4 m-30 59.36 -76.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.418 1.074 . . . . 0.0 111.029 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.523 ' N ' ' O ' ' A' ' 75' ' ' ALA . 56.8 t0 -37.51 -33.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.579 ' OH ' ' CZ2' ' A' ' 32' ' ' TRP . 9.1 t80 -65.57 103.48 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 46.2 mtt180 -103.59 65.07 0.82 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -150.23 -65.55 0.2 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.148 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.507 ' HB2' HG21 ' A' ' 84' ' ' VAL . 38.3 mtt85 -99.09 135.88 39.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 110.33 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.421 ' C ' ' CG ' ' A' ' 83' ' ' HIS . 34.4 mttt -83.61 150.32 25.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.511 ' CD2' ' HA ' ' A' ' 101' ' ' ASP . 0.1 OUTLIER 59.08 68.41 0.82 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.58 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.562 HG22 ' HG3' ' A' ' 98' ' ' GLN . 91.9 t -131.71 133.16 61.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.612 ' CZ ' ' HB2' ' A' ' 97' ' ' PHE . 6.0 p90 -129.65 142.64 50.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.977 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 17.7 ttmt -95.28 138.73 32.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.328 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.611 HD12 ' O ' ' A' ' 71' ' ' GLN . 38.6 tp -122.54 114.05 20.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -112.12 114.98 3.68 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.467 1.105 . . . . 0.0 110.959 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.404 ' N ' HD23 ' A' ' 89' ' ' LEU . 7.6 mt -73.71 -176.28 2.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -89.78 -8.61 51.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.275 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -97.09 15.87 21.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 72.34 30.84 64.2 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.514 1.134 . . . . 0.0 110.96 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.27 110.63 22.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 0.74 . . . . 0.0 109.363 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -106.16 130.48 54.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -126.78 149.25 49.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.455 HD23 ' HA ' ' A' ' 96' ' ' LEU . 15.7 mt -117.22 116.55 27.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.644 ' CE1' ' SG ' ' A' ' 37' ' ' CYS . 97.1 m-85 -118.13 140.7 49.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 111.048 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.562 ' HG3' HG22 ' A' ' 84' ' ' VAL . 25.2 tt0 -118.12 117.1 28.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.132 . . . . 0.0 110.331 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.504 ' HB1' ' HB3' ' A' ' 104' ' ' GLU . . . -82.43 170.14 15.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.271 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 10.7 pttt -68.45 -40.49 81.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.272 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.511 ' HA ' ' CD2' ' A' ' 83' ' ' HIS . 32.1 m-20 -148.44 -168.3 3.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.436 ' CG ' ' N ' ' A' ' 103' ' ' ALA . 2.7 pt-20 -67.58 -42.58 82.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.436 ' N ' ' CG ' ' A' ' 102' ' ' GLU . . . -56.32 -68.7 0.19 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.444 1.09 . . . . 0.0 109.279 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.504 ' HB3' ' HB1' ' A' ' 99' ' ' ALA . 3.6 tp10 -39.19 -43.36 1.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.657 ' HE3' HG22 ' A' ' 74' ' ' VAL . 20.8 ttp -66.26 -68.26 0.38 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -40.27 -40.68 1.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.97 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.902 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.3 OUTLIER -60.88 -56.44 21.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.973 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.547 ' CH2' ' HB3' ' A' ' 37' ' ' CYS . 37.9 m95 -42.3 -66.86 0.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 108.017 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.576 HD21 ' CG ' ' A' ' 85' ' ' PHE . 1.0 OUTLIER -41.12 -56.55 2.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 32.2 ttt-85 -50.88 -37.49 43.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.298 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.948 HG12 HD22 ' A' ' 39' ' ' LEU . 7.2 t -77.56 -60.3 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.487 HG11 HD13 ' A' ' 87' ' ' LEU . 85.6 t -45.19 -44.27 3.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.494 1.122 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -65.51 -39.03 91.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 111' ' ' VAL . . . -63.33 -19.97 65.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.786 ' HB1' ' HA2' ' A' ' 42' ' ' GLY . . . -89.71 -35.85 15.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.663 HG23 ' O ' ' A' ' 68' ' ' ALA . 22.0 mt -74.05 -41.54 52.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.51 -52.31 47.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -92.52 74.31 5.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.998 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -139.89 -143.96 4.45 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.519 1.137 . . . . 0.0 110.971 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 173.53 14.34 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.477 1.778 . . . . 0.0 111.027 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 8.5 t -148.88 -56.04 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 0.0 109.992 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 6.9 m -84.85 106.95 16.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 110.0 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.471 1.107 . . . . 0.0 110.974 179.959 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.6 p -179.32 89.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 0.743 . . . . 0.0 110.008 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.9 t -82.55 -57.97 3.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.017 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.57 -144.43 15.51 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.538 1.149 . . . . 0.0 110.97 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 p -170.72 -45.14 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.521 0.777 . . . . 0.0 109.963 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.2 p 176.73 162.88 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.999 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.24 -138.04 2.99 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.539 1.149 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -91.73 97.4 10.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 0.75 . . . . 0.0 110.3 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -97.62 150.71 20.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.282 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.655 ' CB ' HG11 ' A' ' 111' ' ' VAL . 3.1 ttt -156.64 135.34 11.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 111.037 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.435 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 6.5 pt-20 -150.13 131.93 15.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.244 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -172.25 166.35 39.13 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.56 1.163 . . . . 0.0 110.99 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.535 ' O ' HD12 ' A' ' 14' ' ' LEU . 1.7 tpt -70.8 114.0 8.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 0.753 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.785 HD23 ' HB3' ' A' ' 97' ' ' PHE . 1.9 mp -130.81 155.41 46.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.434 ' O ' ' O ' ' A' ' 96' ' ' LEU . 0.1 OUTLIER -95.38 96.28 9.02 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.125 . . . . 0.0 108.279 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.582 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 7.8 ttp180 -89.15 119.15 29.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.123 . . . . 0.0 110.303 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.417 ' HD2' ' NE1' ' A' ' 32' ' ' TRP . 5.8 tttt -124.15 101.81 7.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.107 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.487 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 28.9 tt0 -63.29 109.8 1.69 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 110.331 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -85.0 -58.05 2.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.504 ' CE ' ' O ' ' A' ' 25' ' ' LYS . 88.0 mmm -120.54 153.28 36.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 111.032 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.52 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 6.1 tt0 -106.34 -11.72 15.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.52 ' HB2' ' O ' ' A' ' 21' ' ' GLU . . . 174.18 173.64 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -48.28 116.25 1.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 111.006 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 62.42 11.93 36.8 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.504 ' O ' ' CE ' ' A' ' 20' ' ' MET . 0.1 OUTLIER -99.58 131.94 45.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 0.754 . . . . 0.0 109.301 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.04 139.99 33.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.487 ' HB2' ' HG2' ' A' ' 18' ' ' GLN . . . -68.26 148.27 51.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.84 -76.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.89 -73.82 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.439 ' HG3' ' HB3' ' A' ' 27' ' ' ALA . 2.2 ttm105 76.43 44.34 0.13 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.585 1.178 . . . . 0.0 110.329 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.73 159.33 25.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.994 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.499 ' CZ2' ' CE2' ' A' ' 78' ' ' TYR . 77.5 m95 -74.66 131.32 40.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 107.982 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.498 ' O ' HG23 ' A' ' 35' ' ' VAL . 56.8 mt-30 -147.64 119.55 8.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.329 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -60.62 103.57 0.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.582 HG11 ' HB3' ' A' ' 46' ' ' PHE . 95.9 t -120.97 126.91 75.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.5 ' CE1' ' HB2' ' A' ' 50' ' ' ALA . 7.3 t80 -69.06 115.29 8.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.579 ' HB3' ' CH2' ' A' ' 108' ' ' TRP . 0.8 OUTLIER -81.89 130.22 35.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 108.279 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 60.9 t -133.12 105.55 8.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 1.024 HD22 HG12 ' A' ' 111' ' ' VAL . 0.8 OUTLIER -98.76 139.19 34.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -167.74 142.67 3.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.294 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 49.58 25.72 1.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.301 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.552 ' HA2' ' HB1' ' A' ' 115' ' ' ALA . . . 73.41 48.21 19.38 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.536 1.148 . . . . 0.0 111.04 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 89.9 p -152.69 126.45 8.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 0.798 . . . . 0.0 109.994 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.439 HD11 ' SG ' ' A' ' 37' ' ' CYS . 30.7 tp -89.53 124.13 34.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -118.63 128.58 7.76 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.582 ' HB3' HG11 ' A' ' 35' ' ' VAL . 34.3 m-85 -92.08 134.76 34.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 0.75 . . . . 0.0 110.98 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.408 ' O ' ' C ' ' A' ' 48' ' ' LYS . 47.6 m-85 -137.69 145.38 42.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.529 ' HA ' ' CD2' ' A' ' 59' ' ' TYR . 23.9 ttpt -39.66 -57.44 1.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.55 ' H ' ' HB3' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -160.08 -178.59 7.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.5 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . . . -60.18 -22.44 62.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.108 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.2 mmtm -80.02 -17.11 53.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.55 ' HB3' ' H ' ' A' ' 49' ' ' ASP . . . -96.41 -26.44 15.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.92 -42.1 58.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 109.272 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.2 t -69.25 -26.59 64.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.956 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -91.9 -1.34 57.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 60.59 38.24 94.67 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.6 t -106.6 113.96 62.45 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.516 0.774 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 133.2 16.22 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.5 1.79 . . . . 0.0 110.963 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.529 ' CD2' ' HA ' ' A' ' 48' ' ' LYS . 0.3 OUTLIER -58.74 116.34 3.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 111.01 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.4 m170 53.41 20.57 2.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.559 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 64.61 41.02 97.98 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.481 1.113 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.423 ' O ' ' O ' ' A' ' 63' ' ' VAL . 52.8 mt-10 -91.58 92.96 8.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 0.733 . . . . 0.0 110.278 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.423 ' O ' ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -43.13 166.66 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 163.09 36.07 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.473 1.775 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.7 m -107.11 122.94 61.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.264 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.1 m -67.27 131.06 44.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.992 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.48 ' CD1' HD11 ' A' ' 39' ' ' LEU . 13.7 mt -95.59 29.44 2.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -79.0 107.39 11.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.9 mtm180 75.31 22.92 1.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 110.259 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.615 ' O ' HD13 ' A' ' 116' ' ' ILE . . . -92.26 152.47 19.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.275 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.498 ' O ' HD12 ' A' ' 87' ' ' LEU . 3.1 mm-40 -114.29 137.84 51.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -124.53 117.5 3.08 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.455 1.097 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 70.9 m -137.74 161.45 36.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 0.789 . . . . 0.0 109.98 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.574 HG21 ' CE2' ' A' ' 76' ' ' PHE . 0.9 OUTLIER -82.3 163.8 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.405 ' N ' ' HA ' ' A' ' 85' ' ' PHE . . . -131.09 60.23 1.66 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 109.251 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.574 ' CE2' HG21 ' A' ' 74' ' ' VAL . 8.9 m-85 -55.33 -42.68 74.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.952 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -40.66 -49.32 3.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.53 ' CE1' ' HB2' ' A' ' 80' ' ' LYS . 1.1 t80 -41.62 102.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.459 ' O ' ' CG ' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -95.83 80.14 3.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.317 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.53 ' HB2' ' CE1' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -172.02 -62.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.27 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.565 ' CB ' HG21 ' A' ' 84' ' ' VAL . 39.0 mtt85 -98.94 132.79 44.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.278 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.418 ' C ' ' CG ' ' A' ' 83' ' ' HIS . 81.4 mttt -81.73 152.16 27.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.339 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.561 ' CE1' ' HA ' ' A' ' 101' ' ' ASP . 0.0 OUTLIER 48.43 73.14 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.632 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.565 HG21 ' CB ' ' A' ' 81' ' ' ARG . 44.3 t -131.01 143.09 41.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.736 ' CG ' HD21 ' A' ' 109' ' ' LEU . 15.2 p90 -139.49 148.08 42.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 111.026 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 28.1 ttmt -95.59 145.59 25.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.498 HD12 ' O ' ' A' ' 71' ' ' GLN . 35.3 tp -130.9 104.75 7.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -99.37 114.71 5.1 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.525 1.141 . . . . 0.0 110.965 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.402 ' N ' HD23 ' A' ' 89' ' ' LEU . 5.3 mt -72.11 -179.32 2.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 0.75 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -88.82 0.23 56.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.266 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -109.38 19.81 18.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 69.52 28.07 72.76 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.515 1.134 . . . . 0.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.28 103.26 14.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 0.771 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -98.46 128.13 44.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.349 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -120.4 163.0 18.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 110.985 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.434 ' O ' ' O ' ' A' ' 15' ' ' CYS . 16.1 mt -130.64 119.1 21.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.785 ' HB3' HD23 ' A' ' 14' ' ' LEU . 98.3 m-85 -121.19 132.5 54.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.535 ' HG3' HG22 ' A' ' 84' ' ' VAL . 43.7 tt0 -109.13 108.44 19.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.289 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.542 ' HA ' HD11 ' A' ' 14' ' ' LEU . . . -71.16 174.58 6.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.087 . . . . 0.0 109.259 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 24.1 pttt -76.37 -36.34 58.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.354 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.561 ' HA ' ' CE1' ' A' ' 83' ' ' HIS . 62.9 m-20 -154.37 -178.5 7.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.364 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -57.5 -44.55 85.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.318 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.17 -67.93 0.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -38.4 -46.48 1.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.292 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.538 ' SD ' ' N ' ' A' ' 106' ' ' SER . 3.6 tmm? -60.21 -71.59 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.538 ' N ' ' SD ' ' A' ' 105' ' ' MET . 0.5 OUTLIER -35.04 -50.32 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.069 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.927 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.3 OUTLIER -54.32 -51.76 63.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.974 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.581 ' CD1' ' HE1' ' A' ' 10' ' ' MET . 19.1 m95 -51.3 -51.83 50.66 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.736 HD21 ' CG ' ' A' ' 85' ' ' PHE . 2.7 mm? -56.36 -48.75 76.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -59.69 -42.14 92.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.302 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 1.024 HG12 HD22 ' A' ' 39' ' ' LEU . 21.6 t -69.84 -59.5 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 108' ' ' TRP . 76.9 t -47.56 -41.01 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -70.13 -38.57 75.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.35 -17.9 64.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.552 ' HB1' ' HA2' ' A' ' 42' ' ' GLY . . . -90.67 -41.93 11.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.615 HD13 ' O ' ' A' ' 70' ' ' ALA . 51.4 mt -59.08 -53.13 52.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -53.72 -43.65 69.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.3 m -79.98 61.34 3.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.017 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -97.18 -164.01 32.18 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.55 1.156 . . . . 0.0 111.008 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 70.11 5.35 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.51 1.795 . . . . 0.0 110.953 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 79.2 p -120.21 167.87 11.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.927 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -118.74 165.11 14.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 109.998 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 -179.968 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -152.21 168.44 25.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 0.774 . . . . 0.0 109.972 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.1 t -73.08 139.77 46.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.074 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.3 175.09 22.53 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.501 1.125 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.6 m -104.42 94.79 5.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 0.751 . . . . 0.0 109.997 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.3 p -155.18 159.2 39.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.039 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.14 155.56 8.22 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.453 1.096 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -89.94 115.87 27.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 0.786 . . . . 0.0 110.286 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -96.28 145.66 25.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.328 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.631 ' HE1' ' CD1' ' A' ' 108' ' ' TRP . 4.9 ttt -151.87 137.05 17.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 111.039 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.436 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 6.6 pt-20 -154.7 131.72 10.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.322 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -172.44 167.13 40.0 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.53 1.144 . . . . 0.0 110.992 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.687 ' HE3' ' HA ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -71.55 115.17 10.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 0.775 . . . . 0.0 111.031 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.62 HD12 ' O ' ' A' ' 13' ' ' MET . 2.2 mp -131.65 150.17 52.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -87.79 95.68 10.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 108.325 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.574 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 18.2 ttp180 -87.99 118.4 27.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.269 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.516 ' HD3' ' CE2' ' A' ' 32' ' ' TRP . 0.4 OUTLIER -123.79 95.54 4.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.466 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 13.1 tt0 -60.06 112.49 1.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.283 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -92.59 -56.67 2.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.115 . . . . 0.0 110.317 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 88.4 mmm -117.63 155.79 29.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 110.993 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.514 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 9.3 tt0 -111.33 -12.19 14.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.296 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.514 ' HB2' ' O ' ' A' ' 21' ' ' GLU . . . 174.56 173.74 0.2 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -47.26 117.5 1.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 59.46 14.27 26.79 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.518 1.136 . . . . 0.0 110.966 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.29 127.23 46.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 0.772 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.74 139.18 32.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.431 1.082 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.466 ' CB ' ' HG2' ' A' ' 18' ' ' GLN . . . -78.16 131.57 37.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.102 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.66 -62.95 0.79 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -110.37 134.28 52.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.448 ' NH1' ' HB2' ' A' ' 30' ' ' ARG . 13.3 mtm105 -127.84 50.5 2.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 110.281 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.9 m -96.09 159.75 14.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.039 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.516 ' CE2' ' HD3' ' A' ' 17' ' ' LYS . 81.5 m95 -86.29 128.02 34.86 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.568 ' O ' HG23 ' A' ' 35' ' ' VAL . 3.7 mp0 -145.29 123.84 12.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 110.32 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -63.18 104.19 0.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 33' ' ' GLN . 58.3 t -117.81 127.0 75.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.683 ' CZ ' ' HB2' ' A' ' 50' ' ' ALA . 6.8 t80 -71.4 108.28 4.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.523 ' SG ' ' CE1' ' A' ' 97' ' ' PHE . 0.6 OUTLIER -76.66 128.13 34.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 108.3 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 74.9 t -127.52 105.52 13.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.33 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.864 HD22 HG12 ' A' ' 111' ' ' VAL . 0.7 OUTLIER -97.26 138.41 34.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -176.87 136.44 0.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.287 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.6 mtm180 64.12 33.46 11.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.312 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.73 ' HA2' ' HB1' ' A' ' 115' ' ' ALA . . . 67.75 20.79 72.57 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.442 ' O ' ' HA ' ' A' ' 39' ' ' LEU . 3.1 m -118.8 166.85 12.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 0.752 . . . . 0.0 109.998 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.433 HD11 ' SG ' ' A' ' 37' ' ' CYS . 50.0 tp -133.76 103.04 5.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -98.53 158.13 20.37 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.582 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 67.4 m-85 -119.05 144.91 46.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 0.783 . . . . 0.0 110.955 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.582 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 34.5 m-85 -150.35 156.66 41.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -48.37 -65.46 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.687 ' HA ' ' HE3' ' A' ' 13' ' ' MET . 0.9 OUTLIER -150.61 -175.55 5.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.683 ' HB2' ' CZ ' ' A' ' 36' ' ' TYR . . . -62.54 -14.19 39.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.343 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -77.56 -43.43 31.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.8 -37.07 70.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.249 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.23 -51.54 64.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.77 -28.17 68.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.004 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.809 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -90.67 12.09 20.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.44 1.087 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 42.31 33.89 1.47 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.809 HG23 ' O ' ' A' ' 55' ' ' ALA . 96.8 t -101.52 121.01 52.94 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.495 0.762 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 136.07 19.93 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.495 1.787 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.403 ' CZ ' ' CE1' ' A' ' 60' ' ' HIS . 21.7 t80 -50.14 -67.3 0.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.403 ' CE1' ' CZ ' ' A' ' 59' ' ' TYR . 0.3 OUTLIER -117.11 43.74 2.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.08 . . . . 0.0 109.59 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 51.28 20.4 4.96 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -77.28 160.56 28.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 0.776 . . . . 0.0 110.339 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -105.76 168.34 8.41 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.361 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 136.37 20.37 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.464 1.771 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 17.2 m -85.23 124.5 40.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.51 127.82 34.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.032 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.478 HD11 HD12 ' A' ' 39' ' ' LEU . 8.3 mt -90.6 40.65 1.02 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.445 ' O ' ' NE2' ' A' ' 90' ' ' GLN . . . -83.26 110.99 18.55 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.104 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.7 mtm180 69.24 17.88 8.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.252 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -77.43 176.16 9.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -146.87 134.63 21.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -122.2 124.67 5.81 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.493 1.12 . . . . 0.0 110.992 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.1 t -136.54 161.26 36.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 0.775 . . . . 0.0 110.037 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.649 HG22 ' CE ' ' A' ' 105' ' ' MET . 38.8 t -83.14 150.4 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -97.02 73.33 2.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.241 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -60.56 -41.35 94.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 1.171 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.68 -40.29 12.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.559 ' CD2' HG11 ' A' ' 84' ' ' VAL . 0.2 OUTLIER -72.95 114.91 11.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.982 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -105.99 -47.26 3.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.102 . . . . 0.0 110.246 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.53 -52.3 10.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.08 125.53 48.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.538 ' O ' ' CG ' ' A' ' 83' ' ' HIS . 7.4 mtpt -91.38 170.55 9.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.64 ' CE1' ' O ' ' A' ' 99' ' ' ALA . 19.2 p80 49.62 60.86 3.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.553 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.768 HG22 ' HG3' ' A' ' 98' ' ' GLN . 65.8 t -131.56 122.44 50.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.588 ' CZ ' ' HB2' ' A' ' 97' ' ' PHE . 8.5 p90 -129.45 136.8 50.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 111.027 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.0 ttmt -92.84 128.62 38.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.769 HD13 HG11 ' A' ' 112' ' ' VAL . 37.2 tp -109.73 100.54 9.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -92.86 115.24 4.83 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.544 1.152 . . . . 0.0 111.057 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.0 mt -73.38 -177.01 2.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 0.773 . . . . 0.0 109.317 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.445 ' NE2' ' O ' ' A' ' 68' ' ' ALA . 10.6 pt20 -89.54 -5.88 56.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -106.14 27.98 8.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 109.276 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 62.51 36.33 93.03 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.479 1.112 . . . . 0.0 111.028 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.88 108.7 20.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 0.775 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -106.87 125.67 51.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.308 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -122.22 143.81 49.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.487 HD23 ' HA ' ' A' ' 96' ' ' LEU . 9.8 mt -108.35 121.55 45.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.588 ' HB2' ' CZ ' ' A' ' 85' ' ' PHE . 72.0 m-85 -120.13 146.69 45.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.097 . . . . 0.0 111.034 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.768 ' HG3' HG22 ' A' ' 84' ' ' VAL . 2.8 tt0 -125.26 111.99 15.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.657 ' HB1' ' HB3' ' A' ' 104' ' ' GLU . . . -77.35 -140.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.439 ' HG3' ' N ' ' A' ' 101' ' ' ASP . 0.0 OUTLIER -119.59 -27.2 5.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.439 ' N ' ' HG3' ' A' ' 100' ' ' LYS . 64.7 m-20 -161.75 -174.77 4.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -69.45 -8.36 46.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 110.277 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 104' ' ' GLU . . . -89.23 -71.0 0.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.657 ' HB3' ' HB1' ' A' ' 99' ' ' ALA . 0.9 OUTLIER -37.9 -43.05 0.66 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 110.3 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.649 ' CE ' HG22 ' A' ' 74' ' ' VAL . 4.8 ttp -69.59 -61.87 1.61 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -39.62 -40.23 0.86 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.994 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.844 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.3 OUTLIER -65.16 -51.14 62.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.97 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.631 ' CD1' ' HE1' ' A' ' 10' ' ' MET . 30.1 m95 -45.44 -63.43 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 107.993 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.562 HD21 ' CG ' ' A' ' 85' ' ' PHE . 0.9 OUTLIER -44.36 -50.93 8.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.31 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 45.6 ttt180 -56.51 -36.84 69.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.304 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.864 HG12 HD22 ' A' ' 39' ' ' LEU . 17.2 t -77.33 -59.44 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.769 HG11 HD13 ' A' ' 87' ' ' LEU . 87.8 t -46.04 -38.49 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.231 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -71.45 -37.52 71.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 111' ' ' VAL . . . -67.71 -17.64 64.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.73 ' HB1' ' HA2' ' A' ' 42' ' ' GLY . . . -91.19 -41.72 10.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.427 1.08 . . . . 0.0 109.329 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 52.2 mt -58.2 -58.98 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.66 -62.92 1.32 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 119' ' ' GLY . 0.2 OUTLIER -54.43 97.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.038 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 118' ' ' SER . . . -36.27 131.55 0.86 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.532 1.145 . . . . 0.0 110.971 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 85.99 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.522 1.801 . . . . 0.0 111.02 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 26.3 m 52.65 78.54 0.13 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 110.024 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 15.2 p -86.38 -57.23 3.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.051 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.464 1.102 . . . . 0.0 111.025 179.999 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.8 t -99.29 135.28 40.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 0.774 . . . . 0.0 109.979 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.6 p -164.1 166.4 21.34 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.559 1.162 . . . . 0.0 110.04 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.415 ' HA3' ' NH2' ' A' ' 40' ' ' ARG . . . -157.0 81.78 0.16 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.467 1.104 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.0 m -127.74 128.71 45.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 0.769 . . . . 0.0 110.005 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 168.25 -55.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.041 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.87 -160.95 11.56 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.531 ' CD ' ' HB1' ' A' ' 114' ' ' ALA . 1.7 mp0 -103.67 87.4 2.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 0.742 . . . . 0.0 110.302 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -100.19 142.07 32.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.306 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' MET . . . . . 0.87 ' HB2' HG11 ' A' ' 111' ' ' VAL . 5.0 ttt -140.58 131.15 25.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 110.993 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.481 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 7.8 pt-20 -146.64 125.57 12.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.304 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.14 158.68 31.35 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.476 1.11 . . . . 0.0 110.986 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.73 ' O ' HD12 ' A' ' 14' ' ' LEU . 2.0 mmt -59.35 120.28 9.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 0.797 . . . . 0.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.73 HD12 ' O ' ' A' ' 13' ' ' MET . 1.7 mp -140.93 154.68 46.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.455 ' O ' ' O ' ' A' ' 96' ' ' LEU . 0.1 OUTLIER -97.03 96.76 8.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 108.296 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.527 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 10.4 ttp180 -88.51 119.66 29.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.274 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.465 ' HD2' ' CE2' ' A' ' 32' ' ' TRP . 4.1 tttp -124.98 94.7 4.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.491 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 44.1 tt0 -66.73 111.47 3.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.267 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.479 ' OE2' ' N ' ' A' ' 96' ' ' LEU . 0.6 OUTLIER -95.1 -50.22 5.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.303 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.513 ' CE ' ' O ' ' A' ' 25' ' ' LYS . 69.8 mmm -114.98 142.68 46.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.401 ' O ' ' O ' ' A' ' 92' ' ' GLY . 3.1 tt0 -112.93 -11.6 13.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 110.273 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.466 ' HA ' ' O ' ' A' ' 92' ' ' GLY . . . -166.02 176.53 7.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -60.13 128.83 38.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 111.019 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 43.37 32.08 1.7 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.489 1.118 . . . . 0.0 110.993 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.513 ' O ' ' CE ' ' A' ' 20' ' ' MET . 0.0 OUTLIER -107.31 -158.19 0.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.765 . . . . 0.0 109.262 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.0 pttt -153.07 140.7 19.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.491 ' CB ' ' HG2' ' A' ' 18' ' ' GLN . . . -83.3 142.32 31.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 27' ' ' ALA . . . -40.37 -71.16 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.25 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -104.4 138.97 40.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 40.3 mtm180 -124.97 56.5 1.32 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.95 158.0 27.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.016 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.465 ' CE2' ' HD2' ' A' ' 17' ' ' LYS . 86.6 m95 -79.58 132.41 36.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 108.011 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.438 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.3 mt-30 -144.41 129.59 18.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 110.288 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -66.02 103.86 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.471 ' CG1' ' HB3' ' A' ' 46' ' ' PHE . 47.8 t -125.36 125.59 69.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.753 ' CE1' ' HB2' ' A' ' 50' ' ' ALA . 57.0 t80 -73.07 110.36 7.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 110.988 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.638 ' SG ' HD11 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -74.16 132.14 41.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 108.313 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 56.4 t -128.95 105.33 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.332 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.994 HD22 HG12 ' A' ' 111' ' ' VAL . 0.6 OUTLIER -102.5 141.84 34.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.282 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 42' ' ' GLY . 1.1 tpt180 -134.17 -149.68 0.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.32 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.6 mmt85 -66.62 68.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 40' ' ' ARG . . . 79.03 55.16 3.86 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.469 1.106 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.45 ' O ' ' HA ' ' A' ' 39' ' ' LEU . 33.2 p -159.82 166.69 29.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 0.77 . . . . 0.0 110.002 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.638 HD11 ' SG ' ' A' ' 37' ' ' CYS . 28.5 tp -150.62 102.9 3.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.22 155.27 19.52 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.503 1.127 . . . . 0.0 110.986 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.588 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 66.0 m-85 -115.2 137.22 52.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 0.776 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.588 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 5.4 m-85 -143.68 163.13 34.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -53.02 -67.05 0.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.599 ' H ' ' HB3' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -146.73 179.02 7.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.753 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . . . -60.52 -18.69 53.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.3 mmtm -85.74 -17.72 35.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.599 ' HB3' ' H ' ' A' ' 49' ' ' ASP . . . -95.64 -13.35 24.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.09 -41.87 24.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.06 -40.72 96.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.986 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.03 -21.61 62.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.87 43.48 11.24 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.515 1.134 . . . . 0.0 110.982 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 84.0 t -105.08 105.08 50.26 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.515 0.773 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 128.41 11.47 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.52 1.8 . . . . 0.0 110.968 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.402 ' C ' ' N ' ' A' ' 61' ' ' GLY . 4.6 t80 -49.97 118.84 3.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 110.988 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 11.4 m170 48.83 23.44 0.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 0.0 109.571 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.402 ' N ' ' C ' ' A' ' 59' ' ' TYR . . . 63.74 23.42 67.21 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.487 1.117 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.433 ' O ' ' O ' ' A' ' 63' ' ' VAL . 38.5 mt-10 -75.41 97.61 3.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 0.778 . . . . 0.0 110.307 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.433 ' O ' ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -43.2 166.97 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 170.77 19.68 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.474 1.776 . . . . 0.0 110.991 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.467 ' CG2' ' HB3' ' A' ' 44' ' ' LEU . 35.3 m -110.37 133.46 55.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.3 128.66 34.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.975 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.648 HD11 HD12 ' A' ' 39' ' ' LEU . 37.1 mt -89.24 41.87 1.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -86.69 106.77 17.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.56 15.17 3.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -79.23 172.51 13.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -148.96 147.63 28.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 110.29 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.422 ' C ' ' CD1' ' A' ' 109' ' ' LEU . . . -121.28 116.18 3.07 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.483 1.114 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.32 160.33 21.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 0.728 . . . . 0.0 110.053 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.59 HG22 ' HE3' ' A' ' 105' ' ' MET . 3.5 t -100.31 140.03 20.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.538 ' HB3' ' O ' ' A' ' 84' ' ' VAL . . . -97.95 74.6 2.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.445 ' C ' ' O ' ' A' ' 75' ' ' ALA . 88.2 m-85 -33.95 101.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 0.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 44.14 86.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.608 ' CE1' ' O ' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -85.38 134.62 34.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.608 ' O ' ' CE1' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -37.5 125.17 1.06 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.142 . . . . 0.0 110.274 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 79' ' ' ARG . 13.4 mttp 87.39 -128.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.416 ' O ' ' O ' ' A' ' 80' ' ' LYS . 8.8 mmt180 -38.82 158.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.169 . . . . 0.0 110.282 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.546 ' O ' HG23 ' A' ' 84' ' ' VAL . 70.7 mttt -111.44 175.33 5.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.444 1.09 . . . . 0.0 109.34 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 40.74 80.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.568 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.668 HG13 ' O ' ' A' ' 97' ' ' PHE . 85.0 t -140.7 137.68 35.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.329 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.603 ' CZ ' ' HB2' ' A' ' 97' ' ' PHE . 11.4 p90 -123.6 135.34 53.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.433 ' HE3' HD21 ' A' ' 96' ' ' LEU . 26.7 ttmt -86.41 116.0 24.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.659 HD13 HG11 ' A' ' 112' ' ' VAL . 26.1 tp -95.4 97.95 10.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -95.5 112.97 4.51 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.531 1.144 . . . . 0.0 111.029 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.43 HD12 ' HB3' ' A' ' 93' ' ' LYS . 14.7 mt -66.25 -126.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 0.742 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.571 ' O ' ' CB ' ' A' ' 91' ' ' ASP . 1.5 pt20 -85.84 22.34 1.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 110.257 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.571 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 6.0 t0 88.39 -18.67 0.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLY . . . . . 0.466 ' O ' ' HA ' ' A' ' 22' ' ' ALA . . . -93.19 10.05 74.0 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.43 ' HB3' HD12 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -163.15 124.29 2.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 0.779 . . . . 0.0 109.284 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -137.22 125.43 23.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 110.33 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.458 ' C ' ' OE2' ' A' ' 19' ' ' GLU . 93.1 m-85 -122.13 154.67 37.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.479 ' N ' ' OE2' ' A' ' 19' ' ' GLU . 19.8 mt -115.04 107.77 15.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.668 ' O ' HG13 ' A' ' 84' ' ' VAL . 97.0 m-85 -106.99 140.24 40.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 111.008 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.611 ' CB ' HG22 ' A' ' 84' ' ' VAL . 2.3 tt0 -116.67 121.52 41.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 110.358 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.573 ' HB1' ' HB3' ' A' ' 104' ' ' GLU . . . -86.42 173.63 9.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.3 pttp -75.75 -31.27 59.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -159.38 -175.81 5.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -62.96 -25.57 68.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.71 -71.79 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.573 ' HB3' ' HB1' ' A' ' 99' ' ' ALA . 0.6 OUTLIER -40.16 -38.24 0.73 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.315 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.59 ' HE3' HG22 ' A' ' 74' ' ' VAL . 5.4 ttp -69.93 -69.14 0.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 111.029 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.1 t -39.48 -45.93 1.62 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 110.034 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.739 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.3 OUTLIER -58.36 -54.91 41.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.976 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.55 ' CH2' ' HB3' ' A' ' 37' ' ' CYS . 17.4 m95 -42.63 -62.69 0.92 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 107.998 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.582 HD21 ' CG ' ' A' ' 85' ' ' PHE . 0.4 OUTLIER -46.71 -50.03 18.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.4 ' HB3' ' O ' ' A' ' 107' ' ' SER . 51.5 ttt180 -56.93 -33.77 67.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.277 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.994 HG12 HD22 ' A' ' 39' ' ' LEU . 21.9 t -80.09 -57.91 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.659 HG11 HD13 ' A' ' 87' ' ' LEU . 86.7 t -47.22 -38.72 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.256 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -72.02 -37.02 69.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.531 ' HB1' ' CD ' ' A' ' 8' ' ' GLU . . . -71.32 -20.06 62.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.67 ' HB2' HD21 ' A' ' 39' ' ' LEU . . . -87.61 -45.51 10.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 34.9 mt -53.55 -53.02 27.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -54.77 -40.68 69.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.05 50.25 1.94 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.973 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -98.29 -165.16 31.0 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.486 1.116 . . . . 0.0 111.015 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 84.71 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.527 1.804 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 29.9 t -40.78 150.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.14 . . . . 0.0 110.029 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.9 m -95.24 -41.45 9.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.993 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.521 1.138 . . . . 0.0 110.966 179.95 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.466 ' HB2' ' CB ' ' A' ' 114' ' ' ALA . 6.0 mm-40 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -94.96 148.84 21.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.733 ' CB ' HG11 ' A' ' 111' ' ' VAL . 5.0 ttt -157.49 132.99 9.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 111.005 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.451 ' N ' ' CD ' ' A' ' 11' ' ' GLU . 1.4 pm0 -150.69 132.93 15.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -171.57 175.34 45.07 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.713 ' O ' HD12 ' A' ' 14' ' ' LEU . 1.1 mmt -76.89 119.84 21.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 0.748 . . . . 0.0 110.997 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.713 HD12 ' O ' ' A' ' 13' ' ' MET . 1.8 mp -138.32 153.99 48.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.422 ' O ' ' O ' ' A' ' 96' ' ' LEU . 0.1 OUTLIER -94.84 96.24 9.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 108.322 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.572 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 14.4 ttp180 -88.89 120.62 30.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.287 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.514 ' HD2' ' CE2' ' A' ' 32' ' ' TRP . 3.7 tttp -124.5 97.14 5.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.461 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 43.8 tt0 -62.29 109.32 1.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.331 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -94.72 -60.51 1.69 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 110.324 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 3.0 mtp -105.22 130.17 53.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.946 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -98.75 -10.6 22.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.298 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -177.56 166.34 2.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 109.291 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -43.22 123.48 2.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 48.19 27.74 5.59 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.479 1.112 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.494 ' CE ' ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -114.55 126.27 54.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 0.798 . . . . 0.0 109.317 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.494 ' O ' ' CE ' ' A' ' 25' ' ' LYS . 1.6 pttt -86.28 122.49 30.33 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.461 ' CB ' ' HG2' ' A' ' 18' ' ' GLN . . . -53.61 -173.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 29' ' ' ASN . . . -108.65 -75.71 0.63 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 28' ' ' ALA . 13.2 t-20 -39.13 -67.58 0.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 77.6 mtm180 47.44 37.35 6.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.22 134.97 55.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.992 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.514 ' CE2' ' HD2' ' A' ' 17' ' ' LYS . 86.4 m95 -65.29 123.88 20.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.157 . . . . 0.0 108.027 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.461 ' O ' HG23 ' A' ' 35' ' ' VAL . 8.6 mt-30 -147.28 139.5 24.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -70.6 103.8 2.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.475 ' CG1' ' HB3' ' A' ' 46' ' ' PHE . 21.4 t -119.69 122.51 68.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.488 ' CD2' ' HB2' ' A' ' 53' ' ' ALA . 13.7 t80 -72.02 110.55 6.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.622 ' SG ' HD11 ' A' ' 44' ' ' LEU . 0.5 OUTLIER -76.82 129.36 36.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 108.288 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 94.0 t -129.11 105.71 13.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.939 HD22 HG12 ' A' ' 111' ' ' VAL . 0.8 OUTLIER -97.85 136.16 38.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.24 142.19 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.341 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 60.12 14.45 4.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.296 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.576 ' HA2' ' HB1' ' A' ' 115' ' ' ALA . . . 82.73 30.46 32.43 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.46 1.1 . . . . 0.0 110.989 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.79 133.63 40.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 0.77 . . . . 0.0 109.978 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.622 HD11 ' SG ' ' A' ' 37' ' ' CYS . 41.0 tp -95.88 113.86 25.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -101.02 159.28 18.91 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.539 1.15 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.475 ' HB3' ' CG1' ' A' ' 35' ' ' VAL . 52.3 m-85 -124.94 126.53 45.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 0.79 . . . . 0.0 111.03 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.414 ' CD1' ' N ' ' A' ' 47' ' ' TYR . 19.8 m-85 -137.38 158.12 45.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.953 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.43 -62.53 1.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -156.04 -175.87 5.66 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.518 1.136 . . . . 0.0 109.232 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.03 -15.09 28.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.424 ' HD2' ' N ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -80.4 -26.69 38.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -96.18 -15.97 21.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.488 ' HB2' ' CD2' ' A' ' 36' ' ' TYR . . . -80.13 -36.59 35.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 45.3 t -83.13 -16.77 45.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.032 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.99 5.07 42.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 53.73 33.64 49.3 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.504 1.128 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 89.5 t -100.32 117.9 62.21 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.461 0.742 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 137.08 21.28 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.49 1.784 . . . . 0.0 111.012 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 17.7 t80 -38.38 -65.26 0.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 111.045 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -125.51 1.59 7.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.585 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 108.0 9.27 28.38 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.462 1.101 . . . . 0.0 110.995 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -73.89 132.75 42.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 0.764 . . . . 0.0 110.308 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -80.86 172.05 10.78 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.355 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 134.73 18.18 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.511 1.795 . . . . 0.0 111.028 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.483 ' HB ' HD11 ' A' ' 89' ' ' LEU . 11.4 m -81.21 122.76 36.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.4 p -65.32 128.85 37.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.001 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.511 HD11 HD12 ' A' ' 39' ' ' LEU . 6.6 mt -92.97 34.68 1.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.454 ' O ' ' CB ' ' A' ' 69' ' ' ARG . . . -82.65 100.69 10.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.454 ' CB ' ' O ' ' A' ' 68' ' ' ALA . 0.1 OUTLIER 80.37 22.81 0.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.281 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -88.29 158.78 18.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.71 ' O ' HD12 ' A' ' 87' ' ' LEU . 0.9 OUTLIER -115.91 142.39 46.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 110.273 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -134.77 111.3 0.91 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 73.4 m -136.73 160.64 38.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 0.764 . . . . 0.0 109.987 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.635 HG22 ' CE ' ' A' ' 105' ' ' MET . 53.6 t -67.59 159.96 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 109.274 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 37.6 mttm . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.413 ' HA ' ' SD ' ' A' ' 105' ' ' MET . 0.0 OUTLIER 51.4 65.81 1.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.563 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.575 HG13 ' O ' ' A' ' 97' ' ' PHE . 53.4 t -130.91 140.63 48.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.61 ' CZ ' ' HB2' ' A' ' 97' ' ' PHE . 3.2 p90 -131.87 143.29 50.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.976 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 17.8 ttmt -95.99 131.09 42.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.71 HD12 ' O ' ' A' ' 71' ' ' GLN . 41.3 tp -114.17 114.29 25.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.349 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -108.39 114.82 4.23 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.536 1.148 . . . . 0.0 111.032 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.483 HD11 ' HB ' ' A' ' 65' ' ' VAL . 5.2 mt -73.3 -173.89 1.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 0.786 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -95.09 -17.39 21.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 110.323 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.414 ' HB3' ' NZ ' ' A' ' 93' ' ' LYS . 4.4 t0 -86.49 3.83 42.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.253 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 87.72 24.01 37.18 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.561 1.163 . . . . 0.0 111.015 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.414 ' NZ ' ' HB3' ' A' ' 91' ' ' ASP . 0.0 OUTLIER -96.12 122.36 38.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 0.782 . . . . 0.0 109.306 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -119.7 124.4 46.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.276 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -121.87 154.53 36.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.948 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.422 ' O ' ' O ' ' A' ' 15' ' ' CYS . 16.8 mt -118.94 122.84 43.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.61 ' HB2' ' CZ ' ' A' ' 85' ' ' PHE . 96.4 m-85 -120.38 143.54 48.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.574 ' HA ' HG22 ' A' ' 84' ' ' VAL . 29.3 tt0 -119.52 109.45 15.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.738 ' HB1' ' HB3' ' A' ' 104' ' ' GLU . . . -73.11 174.56 7.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.23 -26.41 42.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -164.71 -177.19 4.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -59.79 -27.11 66.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.122 . . . . 0.0 110.286 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.41 -71.69 0.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.738 ' HB3' ' HB1' ' A' ' 99' ' ' ALA . 0.6 OUTLIER -40.22 -46.35 2.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.341 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.635 ' CE ' HG22 ' A' ' 74' ' ' VAL . 12.0 ttp -61.96 -68.4 0.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.989 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.1 t -44.43 -49.84 9.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 110.023 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.753 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.3 OUTLIER -52.73 -56.15 17.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.971 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.576 ' CD1' ' HE1' ' A' ' 10' ' ' MET . 24.6 m95 -42.24 -63.9 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.59 HD21 ' CG ' ' A' ' 85' ' ' PHE . 0.8 OUTLIER -43.33 -54.05 4.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 34.5 ttt-85 -53.47 -34.14 56.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.285 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.939 HG12 HD22 ' A' ' 39' ' ' LEU . 18.8 t -80.58 -59.21 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.142 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.45 HG11 HD13 ' A' ' 87' ' ' LEU . 98.9 t -47.47 -36.66 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -72.46 -35.52 68.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.466 ' CB ' ' HB2' ' A' ' 8' ' ' GLU . . . -71.64 -16.44 62.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.576 ' HB1' ' HA2' ' A' ' 42' ' ' GLY . . . -93.24 -44.58 8.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 45.2 mt -55.76 -58.17 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.29 -63.24 1.2 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.313 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 110.034 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.442 ' HA ' HD23 ' A' ' 39' ' ' LEU . 4.8 pp0? -97.84 161.95 13.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.673 ' CB ' HG11 ' A' ' 111' ' ' VAL . 8.0 ttt -166.9 128.07 1.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.424 1.078 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.458 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 8.6 pt-20 -144.92 125.68 14.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.322 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.01 159.36 32.72 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.517 1.136 . . . . 0.0 110.968 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.702 ' O ' HD12 ' A' ' 14' ' ' LEU . 1.9 mmt -58.41 122.39 13.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 0.788 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.732 HD23 ' HB3' ' A' ' 97' ' ' PHE . 1.5 mp -142.34 155.14 45.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.423 ' O ' ' O ' ' A' ' 96' ' ' LEU . 0.8 OUTLIER -97.03 96.17 8.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 108.289 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.513 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 10.6 ttp180 -88.77 120.42 30.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 110.241 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.482 ' HD2' ' CE2' ' A' ' 32' ' ' TRP . 3.3 tttt -124.25 99.54 6.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.367 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.463 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 17.2 tt0 -61.61 109.42 1.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.347 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -85.46 -61.42 1.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.321 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 80.2 mmm -118.53 145.66 45.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -103.12 -12.76 17.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -176.16 169.78 2.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.357 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -51.42 120.65 5.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 110.99 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 60.11 14.27 31.48 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.524 1.14 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.479 ' CE ' ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -107.95 129.39 55.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 0.777 . . . . 0.0 109.328 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.479 ' O ' ' CE ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -94.79 142.88 26.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.463 ' CB ' ' HG2' ' A' ' 18' ' ' GLN . . . -67.66 159.75 29.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.22 -75.4 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -63.78 -68.29 0.36 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.425 ' CB ' ' CZ ' ' A' ' 30' ' ' ARG . 1.5 ttm105 65.26 46.58 2.62 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.526 1.141 . . . . 0.0 110.286 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.5 t -120.21 169.27 10.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.974 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.482 ' CE2' ' HD2' ' A' ' 17' ' ' LYS . 77.7 m95 -85.73 128.51 34.81 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.529 ' O ' HG23 ' A' ' 35' ' ' VAL . 45.6 mt-30 -147.28 123.0 10.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 110.304 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -63.94 103.56 0.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.599 HG11 ' HB3' ' A' ' 46' ' ' PHE . 61.8 t -121.06 127.12 75.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.536 ' CE1' ' HB2' ' A' ' 50' ' ' ALA . 53.2 t80 -70.73 109.99 5.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 111.0 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.772 ' SG ' HD11 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -74.52 131.22 40.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 108.315 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 84.4 t -129.95 105.03 11.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 1.051 HD22 HG12 ' A' ' 111' ' ' VAL . 0.7 OUTLIER -96.49 137.14 36.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -172.96 145.41 1.39 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 110.293 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 50.97 22.4 1.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.329 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.711 ' HA2' ' HB1' ' A' ' 115' ' ' ALA . . . 75.63 38.01 38.63 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.478 1.111 . . . . 0.0 111.043 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.9 m -140.81 128.46 21.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 0.757 . . . . 0.0 109.996 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.772 HD11 ' SG ' ' A' ' 37' ' ' CYS . 30.3 tp -91.35 112.95 25.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.35 155.7 18.5 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.489 1.118 . . . . 0.0 110.969 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.599 ' HB3' HG11 ' A' ' 35' ' ' VAL . 42.7 m-85 -118.56 140.83 49.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 0.77 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.589 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 32.8 m-85 -150.31 167.93 25.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.095 . . . . 0.0 111.005 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.4 ttpt -60.31 -61.39 2.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.256 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.556 ' H ' ' HB3' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -152.98 -176.54 5.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.288 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.536 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . . . -64.01 -16.7 62.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.0 mmtt -86.58 -18.72 30.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.556 ' HB3' ' H ' ' A' ' 49' ' ' ASP . . . -94.76 -22.63 17.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.12 -47.77 27.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.243 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.42 -37.12 86.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 110.025 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -78.13 -5.49 51.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 63.25 33.44 87.25 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.486 1.116 . . . . 0.0 110.974 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 86.9 t -97.77 115.96 65.75 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.479 0.752 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 132.11 15.06 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.504 1.791 . . . . 0.0 110.982 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -44.86 -63.88 0.82 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -124.56 43.67 2.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.61 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 52.65 23.85 15.98 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.452 1.095 . . . . 0.0 110.979 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -83.76 160.8 21.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 0.751 . . . . 0.0 110.317 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -104.04 169.02 7.77 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 136.52 20.34 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.481 1.78 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.447 ' HB ' HD11 ' A' ' 89' ' ' LEU . 16.1 m -82.63 123.47 38.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.3 t -66.59 128.07 34.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.024 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.599 HD11 HD12 ' A' ' 39' ' ' LEU . 5.4 mt -91.8 36.07 0.96 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.13 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -85.28 111.35 19.79 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 71.86 28.97 2.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 110.312 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -98.71 160.01 14.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.614 ' O ' HD12 ' A' ' 87' ' ' LEU . 5.5 pt20 -114.22 144.8 42.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 110.337 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -134.54 108.82 0.74 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.498 1.124 . . . . 0.0 110.975 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 69.6 m -135.69 160.97 36.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 0.757 . . . . 0.0 110.008 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.8 HG22 ' HE3' ' A' ' 105' ' ' MET . 72.9 t -70.84 160.23 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.256 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.411 ' N ' ' HA ' ' A' ' 85' ' ' PHE . . . . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.349 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 44.7 mttt . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.405 ' HA ' ' SD ' ' A' ' 105' ' ' MET . 0.2 OUTLIER 54.26 59.62 4.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.642 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.475 HG22 ' HA ' ' A' ' 98' ' ' GLN . 96.7 t -129.85 137.72 55.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.602 ' CZ ' ' HB2' ' A' ' 97' ' ' PHE . 3.8 p90 -130.4 144.31 51.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.428 ' HA ' HD23 ' A' ' 96' ' ' LEU . 22.6 ttmt -92.25 143.18 26.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.614 HD12 ' O ' ' A' ' 71' ' ' GLN . 39.8 tp -128.45 105.64 8.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -103.02 114.84 4.99 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.486 1.116 . . . . 0.0 110.973 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.447 HD11 ' HB ' ' A' ' 65' ' ' VAL . 4.9 mt -72.92 -172.1 0.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 0.762 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -96.62 -12.18 24.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.3 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -95.7 20.24 10.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.259 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 70.26 31.69 68.87 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.478 1.112 . . . . 0.0 110.957 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.02 114.76 29.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 0.741 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -110.09 130.62 55.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.246 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -124.62 161.35 26.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 111.001 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 96' ' ' LEU . 19.7 mt -131.25 121.87 25.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.103 . . . . 0.0 109.244 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.732 ' HB3' HD23 ' A' ' 14' ' ' LEU . 96.4 m-85 -122.91 134.66 54.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 0.0 110.974 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.475 ' HA ' HG22 ' A' ' 84' ' ' VAL . 27.3 tt0 -108.88 110.18 21.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 110.306 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.644 ' HB1' ' HB3' ' A' ' 104' ' ' GLU . . . -73.18 168.79 18.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 23.5 pttt -74.07 -26.3 60.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -166.76 172.95 9.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -50.29 -36.33 31.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.302 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.79 -70.5 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.644 ' HB3' ' HB1' ' A' ' 99' ' ' ALA . 2.6 tp10 -40.68 -43.46 1.95 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.343 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.8 ' HE3' HG22 ' A' ' 74' ' ' VAL . 11.1 ttp -64.37 -68.5 0.35 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.86 -46.2 3.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.038 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.732 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.3 OUTLIER -57.5 -55.89 28.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.046 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.565 ' CH2' ' HB3' ' A' ' 37' ' ' CYS . 27.9 m95 -43.17 -63.35 0.83 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 107.992 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.592 HD21 ' CG ' ' A' ' 85' ' ' PHE . 0.9 OUTLIER -43.44 -52.16 6.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.403 ' HB3' ' O ' ' A' ' 107' ' ' SER . 37.3 ttt180 -55.78 -35.58 66.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 1.051 HG12 HD22 ' A' ' 39' ' ' LEU . 21.2 t -78.69 -58.87 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.164 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.484 ' N ' ' O ' ' A' ' 108' ' ' TRP . 94.9 t -48.14 -38.17 7.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.125 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -71.52 -36.37 71.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 111' ' ' VAL . . . -69.93 -16.22 63.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.711 ' HB1' ' HA2' ' A' ' 42' ' ' GLY . . . -93.29 -48.47 6.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 38.8 mt -51.62 -57.84 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -54.22 -60.39 3.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 66.4 p . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.044 179.986 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.441 ' HB2' ' CB ' ' A' ' 114' ' ' ALA . 5.3 mm-40 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -95.56 152.38 18.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 110.292 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.643 ' CB ' HG11 ' A' ' 111' ' ' VAL . 8.0 ttt -159.23 128.32 5.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 111.028 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.475 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 13.2 pt-20 -143.47 123.91 13.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.5 154.26 24.64 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.491 1.12 . . . . 0.0 110.962 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.649 ' O ' HD12 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -58.41 123.16 15.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 0.787 . . . . 0.0 110.969 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.649 HD12 ' O ' ' A' ' 13' ' ' MET . 1.4 mp -140.57 155.08 46.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.347 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.43 ' O ' ' HA ' ' A' ' 97' ' ' PHE . 0.5 OUTLIER -94.01 95.87 9.32 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 108.308 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.534 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 9.8 ttp180 -88.54 115.83 26.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.503 ' HD2' ' CE2' ' A' ' 32' ' ' TRP . 4.0 tttt -122.92 104.7 9.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.6 ' OE1' ' CE1' ' A' ' 95' ' ' TYR . 7.6 tp60 -65.05 140.11 58.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -124.5 -50.12 1.76 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.449 ' O ' ' NE2' ' A' ' 18' ' ' GLN . 89.5 mmm -128.56 141.44 51.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 110.967 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -106.08 -10.61 16.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.264 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . -178.38 154.57 0.82 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -43.85 111.32 0.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 111.018 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.85 -35.3 3.54 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.505 1.128 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.477 ' CE ' ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -66.06 123.4 19.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 0.744 . . . . 0.0 109.282 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.477 ' O ' ' CE ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -91.78 139.56 30.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.469 ' CB ' ' HG3' ' A' ' 18' ' ' GLN . . . -66.9 125.93 27.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.63 -72.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -106.17 121.93 45.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 43.0 mtm180 -113.04 65.59 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.281 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.1 m -106.56 164.12 12.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.028 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.503 ' CE2' ' HD2' ' A' ' 17' ' ' LYS . 76.1 m95 -92.56 129.65 38.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 108.044 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.585 ' O ' HG23 ' A' ' 35' ' ' VAL . 9.6 mp0 -145.97 122.05 10.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.302 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -62.39 103.31 0.39 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 33' ' ' GLN . 59.5 t -120.04 126.53 75.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.682 ' CE1' ' HB2' ' A' ' 50' ' ' ALA . 21.0 t80 -70.32 114.28 8.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 111.001 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.695 ' SG ' HD11 ' A' ' 44' ' ' LEU . 0.3 OUTLIER -79.37 128.64 33.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 108.29 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 60.1 t -126.93 105.68 14.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 1.047 HD22 HG12 ' A' ' 111' ' ' VAL . 0.8 OUTLIER -97.12 136.74 37.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.095 . . . . 0.0 109.331 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -172.77 140.86 1.01 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 110.25 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 54.95 24.38 5.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.718 ' HA2' ' HB1' ' A' ' 115' ' ' ALA . . . 74.02 35.27 54.13 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.567 1.167 . . . . 0.0 110.944 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.3 m -137.69 128.45 27.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 0.775 . . . . 0.0 109.996 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.695 HD11 ' SG ' ' A' ' 37' ' ' CYS . 32.8 tp -92.8 112.23 24.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -104.09 148.81 16.98 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.534 1.146 . . . . 0.0 111.042 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.542 ' HB3' HG11 ' A' ' 35' ' ' VAL . 42.3 m-85 -110.58 133.6 53.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 0.79 . . . . 0.0 110.974 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.433 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 33.6 m-85 -141.57 153.15 44.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.423 1.077 . . . . 0.0 111.034 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.0 tptt -44.94 -65.65 0.5 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.472 ' HA ' ' CE ' ' A' ' 13' ' ' MET . 0.2 OUTLIER -151.04 -175.82 5.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 109.327 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.682 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . . . -62.75 -13.56 34.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.437 ' HD2' ' N ' ' A' ' 51' ' ' LYS . 11.5 mptt -82.75 -19.54 37.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.402 ' HB1' ' O ' ' A' ' 57' ' ' VAL . . . -97.55 -26.95 14.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.64 -31.14 70.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.37 -44.73 15.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.021 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.29 -5.96 42.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 63.09 32.94 85.85 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.483 1.114 . . . . 0.0 111.029 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.402 ' O ' ' HB1' ' A' ' 52' ' ' ALA . 92.6 t -97.39 119.55 62.7 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.462 0.742 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 134.96 18.54 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.492 1.785 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -45.19 -65.26 0.56 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.943 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -124.81 44.05 2.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.592 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 53.79 20.93 14.28 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.493 1.121 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -84.33 134.99 34.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 0.749 . . . . 0.0 110.261 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -77.65 169.39 21.28 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 141.49 26.67 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.525 1.803 . . . . 0.0 111.011 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 20.7 m -83.75 125.34 40.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.48 124.0 23.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 110.014 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.539 HD11 HD12 ' A' ' 39' ' ' LEU . 6.2 mt -87.64 45.41 1.27 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -83.56 120.16 25.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.3 mtt85 57.9 16.66 3.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.341 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.47 ' O ' HD13 ' A' ' 116' ' ' ILE . . . -80.34 155.56 27.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -125.88 142.19 51.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.274 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -127.3 123.95 4.76 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.496 1.123 . . . . 0.0 111.0 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 86' ' ' LYS . 11.6 t -136.39 160.99 37.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 110.027 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.76 HG22 ' HE3' ' A' ' 105' ' ' MET . 69.1 t -70.37 157.02 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.987 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 20.5 mttt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 52.43 66.7 1.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.609 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.46 HG22 ' HG3' ' A' ' 98' ' ' GLN . 91.9 t -133.65 138.18 51.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.589 ' CZ ' ' HB2' ' A' ' 97' ' ' PHE . 4.8 p90 -130.67 144.37 51.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.541 ' HE2' HD21 ' A' ' 96' ' ' LEU . 6.4 ttmt -97.06 128.8 44.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.573 HD13 HG11 ' A' ' 112' ' ' VAL . 68.2 tp -107.29 101.42 10.8 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.145 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -93.62 114.58 4.75 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.561 1.163 . . . . 0.0 110.995 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.479 ' HB2' ' CB ' ' A' ' 93' ' ' LYS . 5.6 mt -75.0 175.85 7.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 0.764 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -83.68 -14.98 50.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.311 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -104.29 43.54 1.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 50.06 36.67 28.43 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.486 1.116 . . . . 0.0 111.035 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.479 ' CB ' ' HB2' ' A' ' 89' ' ' LEU . 0.2 OUTLIER -106.86 98.14 7.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 0.778 . . . . 0.0 109.269 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -98.84 138.47 35.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.232 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.6 ' CE1' ' OE1' ' A' ' 18' ' ' GLN . 46.2 m-85 -134.39 151.37 51.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.975 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.541 HD21 ' HE2' ' A' ' 86' ' ' LYS . 15.0 mt -116.16 124.78 51.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.618 ' HB3' HD23 ' A' ' 14' ' ' LEU . 98.5 m-85 -127.43 127.02 43.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.46 ' HG3' HG22 ' A' ' 84' ' ' VAL . 32.1 tt0 -103.95 112.0 24.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.254 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.425 ' HA ' HD11 ' A' ' 14' ' ' LEU . . . -79.86 178.38 8.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.1 ptpp? -78.23 -38.19 43.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -157.14 -176.37 5.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -56.94 -41.36 78.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 110.256 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.81 -71.55 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -41.59 -43.45 2.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.76 ' HE3' HG22 ' A' ' 74' ' ' VAL . 15.7 ttp -66.59 -68.07 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.933 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -41.43 -47.22 3.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.984 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.767 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.3 OUTLIER -55.65 -56.03 25.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.002 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.567 ' CH2' ' HB3' ' A' ' 37' ' ' CYS . 26.4 m95 -43.41 -64.2 0.69 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 0.0 107.999 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.581 HD21 ' CG ' ' A' ' 85' ' ' PHE . 1.1 mm? -44.02 -51.08 8.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.405 ' HB3' ' O ' ' A' ' 107' ' ' SER . 43.8 ttt180 -56.58 -36.22 69.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 1.047 HG12 HD22 ' A' ' 39' ' ' LEU . 21.3 t -78.11 -60.08 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.573 HG11 HD13 ' A' ' 87' ' ' LEU . 94.3 t -46.44 -38.26 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -71.36 -36.85 71.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 111' ' ' VAL . . . -69.14 -16.37 63.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.718 ' HB1' ' HA2' ' A' ' 42' ' ' GLY . . . -93.03 -47.46 6.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.47 HD13 ' O ' ' A' ' 70' ' ' ALA . 30.6 mt -52.33 -60.27 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -50.32 -63.29 1.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.984 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.457 ' HA ' HD23 ' A' ' 39' ' ' LEU . 4.2 mt-30 -104.26 151.58 23.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.606 ' HE1' ' CD1' ' A' ' 108' ' ' TRP . 6.7 ttt -153.5 128.31 9.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.957 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.453 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 11.8 pt-20 -144.66 123.01 12.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.339 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.47 160.87 34.57 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.729 ' O ' HD12 ' A' ' 14' ' ' LEU . 2.2 mmt -58.78 124.82 21.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 0.763 . . . . 0.0 110.971 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.883 HD23 ' HB3' ' A' ' 97' ' ' PHE . 1.5 mp -145.22 154.74 42.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 97' ' ' PHE . 0.5 OUTLIER -97.77 96.3 8.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 108.307 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.571 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 8.4 ttp180 -88.04 118.56 27.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.317 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.423 ' HD2' ' NE1' ' A' ' 32' ' ' TRP . 5.4 tttt -120.97 100.73 7.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.47 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 44.2 tt0 -67.1 110.02 3.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -85.39 -55.95 3.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.266 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.488 ' CE ' ' O ' ' A' ' 25' ' ' LYS . 86.6 mmm -121.34 160.48 23.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 111.069 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.533 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 5.9 tt0 -110.78 -12.34 14.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.533 ' HB2' ' O ' ' A' ' 21' ' ' GLU . . . 173.58 173.47 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -46.72 117.87 1.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 58.14 16.13 25.09 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.488 ' O ' ' CE ' ' A' ' 20' ' ' MET . 0.0 OUTLIER -103.5 126.9 50.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 0.749 . . . . 0.0 109.274 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.71 138.07 32.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 109.348 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.47 ' CB ' ' HG2' ' A' ' 18' ' ' GLN . . . -79.31 138.21 37.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.03 -71.15 0.09 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.46 1.1 . . . . 0.0 109.35 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -112.06 128.76 56.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.333 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.6 mtm180 -119.12 58.78 0.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.271 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.5 m -108.23 161.05 15.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.958 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.423 ' NE1' ' HD2' ' A' ' 17' ' ' LYS . 87.5 m95 -82.44 128.64 34.46 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.45 ' O ' HG23 ' A' ' 35' ' ' VAL . 46.1 mt-30 -142.38 137.25 30.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.264 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 13.8 p-10 -68.18 104.3 1.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.49 ' CG1' ' HB3' ' A' ' 46' ' ' PHE . 24.0 t -126.75 122.02 59.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.558 ' CE1' ' HB2' ' A' ' 50' ' ' ALA . 56.5 t80 -72.19 112.42 8.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 111.039 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.726 ' SG ' HD11 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -76.23 131.62 39.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 108.276 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 83.9 t -129.62 105.35 12.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 1.075 HD22 HG12 ' A' ' 111' ' ' VAL . 0.8 OUTLIER -95.73 135.94 36.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -172.32 144.52 1.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 110.313 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.89 20.46 1.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 110.301 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.73 ' HA2' ' HB1' ' A' ' 115' ' ' ALA . . . 78.22 31.67 46.26 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.466 1.104 . . . . 0.0 111.014 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 95.3 p -134.0 132.61 40.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 0.78 . . . . 0.0 110.051 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.726 HD11 ' SG ' ' A' ' 37' ' ' CYS . 36.8 tp -94.91 111.5 23.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -101.09 155.83 19.16 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.502 1.127 . . . . 0.0 110.978 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.574 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 41.5 m-85 -118.85 140.14 50.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 0.759 . . . . 0.0 110.997 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.574 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 25.6 m-85 -148.0 166.47 27.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.988 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -58.17 -60.04 4.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.565 ' H ' ' HB3' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -153.49 -175.88 5.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.558 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . . . -65.06 -18.48 65.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.8 mmtp -84.78 -18.33 35.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.565 ' HB3' ' H ' ' A' ' 49' ' ' ASP . . . -95.35 -19.92 19.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.45 -43.59 22.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.7 t -69.53 -27.27 65.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.987 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.1 -4.26 58.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.294 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 64.06 30.3 77.38 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.139 . . . . 0.0 111.016 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 58.2 t -97.96 116.46 65.67 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.506 0.768 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 139.82 24.54 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.487 1.782 . . . . 0.0 110.962 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -47.55 -65.48 0.56 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 111.03 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.5 ' CB ' ' OE2' ' A' ' 62' ' ' GLU . 10.5 m170 -123.28 22.98 9.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.578 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.33 -8.89 59.9 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.484 1.115 . . . . 0.0 111.051 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.5 ' OE2' ' CB ' ' A' ' 60' ' ' HIS . 0.0 OUTLIER -49.85 160.34 0.32 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 0.758 . . . . 0.0 110.26 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -104.44 168.77 8.05 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 137.97 22.4 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.521 1.801 . . . . 0.0 111.023 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.484 ' HB ' ' CD1' ' A' ' 89' ' ' LEU . 28.8 m -83.14 132.64 30.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 89.3 p -75.06 127.53 33.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.988 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.612 HD11 HD12 ' A' ' 39' ' ' LEU . 7.0 mt -92.6 30.34 1.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -78.19 114.09 16.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 66.46 21.28 10.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.09 . . . . 0.0 110.324 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.27 168.94 17.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.494 ' O ' HD12 ' A' ' 87' ' ' LEU . 6.7 pt20 -125.77 135.59 52.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.268 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -130.09 109.13 0.9 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.506 1.129 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 75.1 m -136.48 160.64 38.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 0.764 . . . . 0.0 109.981 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.885 HG22 ' HE3' ' A' ' 105' ' ' MET . 91.7 t -68.91 158.62 5.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 84' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.475 ' C ' ' CG ' ' A' ' 83' ' ' HIS . 27.1 mttm . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.475 ' CG ' ' C ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER 58.32 68.46 0.83 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.581 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.469 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 72.6 t -132.09 127.01 57.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.611 ' CG ' HD21 ' A' ' 109' ' ' LEU . 11.8 p90 -122.76 142.67 50.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.443 ' HA ' HD23 ' A' ' 96' ' ' LEU . 27.0 ttmt -89.19 149.53 23.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.251 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.494 HD12 ' O ' ' A' ' 71' ' ' GLN . 50.0 tp -134.03 99.22 4.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -98.35 114.65 5.07 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.484 ' CD1' ' HB ' ' A' ' 65' ' ' VAL . 6.2 mt -76.84 170.16 16.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 0.757 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -75.25 -15.35 60.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.316 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.01 11.34 18.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.097 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 76.35 22.81 72.38 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.524 1.14 . . . . 0.0 110.968 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -92.58 114.2 26.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 0.775 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -107.19 125.22 50.82 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.118 . . . . 0.0 110.263 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -124.84 159.99 29.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' A' ' 86' ' ' LYS . 60.1 mt -130.58 118.67 21.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.883 ' HB3' HD23 ' A' ' 14' ' ' LEU . 92.9 m-85 -119.17 129.78 55.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.944 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -101.54 109.97 21.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.32 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.642 ' HA ' HD11 ' A' ' 14' ' ' LEU . . . -71.27 174.14 6.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.408 ' O ' ' CG ' ' A' ' 101' ' ' ASP . 1.5 pttt -79.06 -24.63 43.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.408 ' CG ' ' O ' ' A' ' 100' ' ' LYS . 7.1 m-20 -171.43 -175.99 1.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -55.83 -46.24 78.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 110.291 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 104' ' ' GLU . . . -55.21 -71.39 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.425 1.078 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 103' ' ' ALA . 0.8 OUTLIER -38.77 -45.02 1.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.321 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.885 ' HE3' HG22 ' A' ' 74' ' ' VAL . 12.9 ttp -63.5 -68.03 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.64 -45.4 4.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 110.01 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.916 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.3 OUTLIER -56.26 -52.71 63.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.142 . . . . 0.0 109.997 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.606 ' CD1' ' HE1' ' A' ' 10' ' ' MET . 38.0 m95 -48.13 -67.45 0.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 107.945 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.611 HD21 ' CG ' ' A' ' 85' ' ' PHE . 1.3 mm? -40.34 -50.72 2.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -57.08 -42.13 80.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 110.298 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 1.075 HG12 HD22 ' A' ' 39' ' ' LEU . 16.7 t -72.9 -60.19 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 108' ' ' TRP . 79.6 t -46.16 -38.39 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.407 ' ND2' ' O ' ' A' ' 109' ' ' LEU . 16.9 m-80 -71.07 -37.39 72.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 109.334 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 111' ' ' VAL . . . -69.22 -15.7 63.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.73 ' HB1' ' HA2' ' A' ' 42' ' ' GLY . . . -93.34 -44.59 8.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 49.8 mt -55.35 -59.62 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -49.7 -62.92 1.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.992 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.63 ' HA ' HD23 ' A' ' 39' ' ' LEU . 6.2 mp0 -95.28 148.9 21.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.291 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.696 ' HB2' HG11 ' A' ' 111' ' ' VAL . 4.2 ttt -147.97 133.7 18.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.457 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 6.4 pt-20 -145.49 131.32 19.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.574 1.171 . . . . 0.0 110.329 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -172.18 153.44 19.33 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.465 1.103 . . . . 0.0 111.021 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.45 ' O ' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -61.45 111.86 1.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 0.745 . . . . 0.0 110.993 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.644 HD23 ' HB3' ' A' ' 97' ' ' PHE . 1.3 mp -128.33 155.16 45.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.425 ' O ' ' O ' ' A' ' 96' ' ' LEU . 0.1 OUTLIER -92.49 95.41 9.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 0.0 108.3 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.567 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 15.3 ttp180 -88.75 121.95 31.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -124.28 108.18 11.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.257 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.556 ' HG2' ' HB1' ' A' ' 27' ' ' ALA . 2.6 tt0 -69.28 118.34 12.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.441 ' O ' ' NE ' ' A' ' 30' ' ' ARG . 4.3 mm-40 -102.02 -55.85 2.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.113 . . . . 0.0 110.299 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 89.3 mmm -121.55 155.34 35.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.468 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 11.7 tt0 -114.15 -11.26 12.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 110.311 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.551 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . . . 177.14 169.9 0.56 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -50.21 109.54 0.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 111.022 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.41 -1.01 58.65 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.499 1.124 . . . . 0.0 110.988 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.551 ' HB3' ' HB3' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -89.35 119.7 30.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 0.765 . . . . 0.0 109.305 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.2 140.23 29.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.556 ' HB1' ' HG2' ' A' ' 18' ' ' GLN . . . -76.03 127.66 33.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 27' ' ' ALA . . . -39.77 -63.72 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -114.62 119.81 38.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 109.352 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.441 ' NE ' ' O ' ' A' ' 19' ' ' GLU . 12.4 mtp180 -114.29 66.32 0.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.56 1.163 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.6 m -109.01 166.08 11.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.424 1.078 . . . . 0.0 110.046 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.432 ' CH2' ' HB3' ' A' ' 96' ' ' LEU . 73.1 m95 -91.95 129.86 37.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 108.013 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.499 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.6 mt-30 -147.04 124.53 11.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 110.309 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -62.41 103.8 0.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 33' ' ' GLN . 87.7 t -118.93 127.09 75.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.598 ' CE1' ' HB2' ' A' ' 50' ' ' ALA . 7.2 t80 -70.19 108.31 4.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.112 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.604 ' SG ' ' CE1' ' A' ' 97' ' ' PHE . 0.5 OUTLIER -77.66 130.17 36.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 108.325 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 44.4 t -127.89 105.32 13.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.855 HD22 HG12 ' A' ' 111' ' ' VAL . 0.6 OUTLIER -101.23 142.49 32.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.475 ' O ' ' N ' ' A' ' 42' ' ' GLY . 3.0 tpt180 -134.54 -149.19 0.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.328 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 33.1 ttt180 -64.21 72.77 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 40' ' ' ARG . . . 72.51 56.12 6.31 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.431 ' O ' ' HA ' ' A' ' 39' ' ' LEU . 64.8 p -160.44 166.39 29.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 0.746 . . . . 0.0 109.951 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.522 HD11 ' SG ' ' A' ' 37' ' ' CYS . 30.3 tp -150.49 101.14 2.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -103.27 145.92 16.37 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.466 1.104 . . . . 0.0 111.026 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.528 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 62.1 m-85 -104.27 144.82 31.1 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 0.779 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.528 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 20.6 m-85 -144.47 146.05 32.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.545 ' HA ' ' CD2' ' A' ' 59' ' ' TYR . 17.9 ttpt -37.47 -63.46 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.242 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 48' ' ' LYS . 7.4 m-20 -156.34 -175.55 5.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.157 . . . . 0.0 109.331 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.598 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . . . -63.31 -13.7 41.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.0 mmtm -82.86 -25.3 32.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.254 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -90.4 -31.25 16.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.6 -46.4 82.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.4 t -64.64 -29.82 70.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.964 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.481 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -92.48 6.91 45.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.256 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 50.73 39.86 39.75 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.504 1.127 . . . . 0.0 111.031 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 55' ' ' ALA . 93.0 t -107.05 116.58 58.22 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.551 0.795 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 140.46 25.53 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.442 1.759 . . . . 0.0 110.968 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.545 ' CD2' ' HA ' ' A' ' 48' ' ' LYS . 0.4 OUTLIER -65.28 113.72 4.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 110.98 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 11.4 m170 57.91 16.67 3.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.625 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.13 42.02 52.25 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.493 1.12 . . . . 0.0 110.997 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -87.68 120.64 29.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 0.74 . . . . 0.0 110.298 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -71.23 164.7 54.94 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 161.23 39.18 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.498 1.789 . . . . 0.0 111.035 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.434 HG22 ' O ' ' A' ' 44' ' ' LEU . 19.1 m -109.56 123.02 65.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.9 m -69.89 124.98 25.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.984 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.586 HD11 HD12 ' A' ' 39' ' ' LEU . 14.0 mt -86.01 47.61 1.48 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -85.01 106.37 16.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 13.0 mtm180 70.39 16.12 7.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 110.255 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.725 ' O ' HD13 ' A' ' 116' ' ' ILE . . . -80.88 150.75 28.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -132.17 150.39 52.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.284 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -134.32 130.92 5.73 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.508 1.13 . . . . 0.0 110.973 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 86' ' ' LYS . 1.5 t -137.21 154.0 50.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 0.755 . . . . 0.0 109.997 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.716 HG22 ' CE ' ' A' ' 105' ' ' MET . 73.8 t -62.53 145.86 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.959 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 25.2 mtpt . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 52.83 68.05 0.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 109.568 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 92.2 t -128.02 131.52 69.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.251 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.58 ' CZ ' ' HB2' ' A' ' 97' ' ' PHE . 6.2 p90 -127.45 145.01 50.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.452 ' CD ' ' HG2' ' A' ' 94' ' ' GLU . 14.7 ttmt -94.64 134.07 37.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.557 HD13 HG11 ' A' ' 112' ' ' VAL . 57.2 tp -116.67 105.43 12.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -98.26 115.82 5.39 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.47 1.107 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 5.6 mt -76.05 -174.93 2.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 0.735 . . . . 0.0 109.322 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -88.5 -22.7 23.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 110.316 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -92.17 35.3 1.0 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.271 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 55.28 38.63 68.89 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.556 1.16 . . . . 0.0 111.016 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.78 105.64 15.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 0.775 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.452 ' HG2' ' CD ' ' A' ' 86' ' ' LYS . 0.6 OUTLIER -105.11 125.09 50.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.287 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -120.27 163.52 17.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 111.016 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.432 ' HB3' ' CH2' ' A' ' 32' ' ' TRP . 20.3 mt -128.43 116.19 19.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.16 . . . . 0.0 109.307 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.644 ' HB3' HD23 ' A' ' 14' ' ' LEU . 93.1 m-85 -116.97 138.23 51.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 110.97 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -114.34 107.05 15.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.322 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.618 ' HA ' HD11 ' A' ' 14' ' ' LEU . . . -70.7 176.34 4.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 8.5 pttt -79.76 -33.88 40.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -157.82 -175.84 5.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.32 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -60.16 -36.55 77.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.57 1.169 . . . . 0.0 110.264 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.96 -71.69 0.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.145 . . . . 0.0 109.269 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -38.58 -45.25 1.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.333 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.716 ' CE ' HG22 ' A' ' 74' ' ' VAL . 17.2 ttp -64.35 -67.65 0.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.982 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -40.02 -47.53 2.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.014 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.884 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.3 OUTLIER -56.08 -55.17 36.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.993 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.525 ' CD2' ' HG2' ' A' ' 10' ' ' MET . 36.1 m95 -43.53 -68.23 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 108.038 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.576 HD21 ' CG ' ' A' ' 85' ' ' PHE . 2.0 mm? -40.15 -51.93 2.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.407 ' HB3' ' O ' ' A' ' 107' ' ' SER . 35.6 ttp180 -57.05 -42.83 81.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.884 HG23 ' O ' ' A' ' 107' ' ' SER . 12.7 t -70.29 -60.11 2.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.557 HG11 HD13 ' A' ' 87' ' ' LEU . 71.6 t -44.71 -39.01 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -71.18 -38.42 72.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 111' ' ' VAL . . . -71.96 -21.5 61.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.661 ' HB2' HD21 ' A' ' 39' ' ' LEU . . . -85.11 -43.37 13.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.248 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.725 HD13 ' O ' ' A' ' 70' ' ' ALA . 22.1 mt -57.59 -60.74 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -45.61 -57.96 3.79 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.558 1.161 . . . . 0.0 109.263 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.3 t . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.126 . . . . 0.0 109.997 -179.986 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.424 ' OE2' ' NH1' ' A' ' 110' ' ' ARG . 3.4 mt-10 . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -97.51 149.52 22.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.273 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.659 ' CB ' HG11 ' A' ' 111' ' ' VAL . 5.0 ttt -152.97 132.14 12.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 111.029 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.429 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 1.3 pm0 -148.28 130.18 15.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -172.47 160.75 32.11 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.472 1.107 . . . . 0.0 111.039 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.699 ' O ' HD12 ' A' ' 14' ' ' LEU . 1.5 mmt -61.12 122.73 15.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 0.801 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.816 HD23 ' HB3' ' A' ' 97' ' ' PHE . 1.5 mp -142.51 154.22 44.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.422 ' O ' ' O ' ' A' ' 96' ' ' LEU . 0.1 OUTLIER -94.54 95.78 9.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.122 . . . . 0.0 108.281 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.486 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 9.3 ttp180 -89.65 119.5 30.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.332 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.413 ' O ' ' CD ' ' A' ' 19' ' ' GLU . 5.2 tttt -124.62 108.7 12.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.794 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 54.1 tt0 -68.27 110.6 4.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.3 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.413 ' CD ' ' O ' ' A' ' 17' ' ' LYS . 26.7 mp0 -84.4 -60.07 2.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.133 . . . . 0.0 110.333 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 80.2 mmm -122.63 150.2 42.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.981 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.545 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 8.7 tt0 -103.35 -11.33 17.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.545 ' HB2' ' O ' ' A' ' 21' ' ' GLU . . . 172.91 164.69 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -45.81 108.75 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 111.039 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 88.65 -34.38 3.89 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.542 1.151 . . . . 0.0 111.0 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.402 ' CE ' ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -74.21 127.9 34.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 0.759 . . . . 0.0 109.347 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.402 ' O ' ' CE ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -109.71 138.56 45.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.794 ' HB2' ' HG2' ' A' ' 18' ' ' GLN . . . -55.1 119.86 6.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.56 -54.2 2.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -106.77 118.9 37.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.322 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 50.6 mtm180 -115.53 72.56 0.8 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 110.308 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.405 ' O ' ' OE1' ' A' ' 33' ' ' GLN . 0.1 OUTLIER -120.27 159.1 25.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.016 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 75.3 m95 -88.18 132.05 34.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 108.008 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.535 ' O ' HG23 ' A' ' 35' ' ' VAL . 6.3 mp0 -146.12 129.53 16.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -66.31 103.85 1.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.091 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.569 HG11 ' HB3' ' A' ' 46' ' ' PHE . 41.6 t -119.52 125.1 74.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.555 ' CE2' ' HA ' ' A' ' 50' ' ' ALA . 14.1 t80 -69.26 108.05 3.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.604 ' SG ' HD11 ' A' ' 44' ' ' LEU . 0.5 OUTLIER -75.56 129.16 36.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 108.287 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 97.6 t -129.34 105.35 12.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.947 HD22 HG12 ' A' ' 111' ' ' VAL . 0.8 OUTLIER -95.81 136.07 36.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -168.67 148.77 4.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.346 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 42.62 29.8 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.328 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.67 ' HA2' ' HB1' ' A' ' 115' ' ' ALA . . . 69.38 50.93 29.33 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 58.3 p -153.46 125.25 7.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 0.768 . . . . 0.0 109.993 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.604 HD11 ' SG ' ' A' ' 37' ' ' CYS . 27.5 tp -90.24 109.4 20.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -99.73 147.44 18.25 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.493 1.121 . . . . 0.0 111.013 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.569 ' HB3' HG11 ' A' ' 35' ' ' VAL . 41.7 m-85 -111.58 138.24 48.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 0.771 . . . . 0.0 110.971 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.456 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 56.7 m-85 -147.15 164.29 33.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 110.994 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.54 -60.82 2.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.551 ' H ' ' HB3' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -154.7 -177.97 6.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.555 ' HA ' ' CE2' ' A' ' 36' ' ' TYR . . . -62.71 -19.0 63.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 109.297 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.19 -17.7 39.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.331 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.551 ' HB3' ' H ' ' A' ' 49' ' ' ASP . . . -94.52 -35.14 12.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.484 ' HB2' ' HD2' ' A' ' 36' ' ' TYR . . . -65.63 -40.33 92.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.91 -36.86 80.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.042 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -83.1 1.68 39.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 58.12 37.12 85.02 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.454 1.096 . . . . 0.0 111.014 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.7 t -101.14 116.42 63.92 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.484 0.755 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 132.66 15.61 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.505 1.792 . . . . 0.0 110.986 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -44.66 -64.13 0.76 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -124.85 47.39 2.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 109.596 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 50.31 23.48 6.1 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.467 1.105 . . . . 0.0 110.98 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -83.82 158.0 21.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 0.747 . . . . 0.0 110.325 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -102.67 168.79 8.35 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 140.35 25.37 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.518 1.799 . . . . 0.0 111.023 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.41 ' HB ' HD11 ' A' ' 89' ' ' LEU . 4.1 m -86.61 124.96 40.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.1 p -68.83 127.96 34.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.947 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.517 HD11 HD12 ' A' ' 39' ' ' LEU . 5.3 mt -92.14 37.75 0.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -86.68 118.28 25.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 109.331 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 64.45 26.39 13.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.28 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -93.55 169.55 10.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.41 ' O ' HD12 ' A' ' 87' ' ' LEU . 4.2 mm-40 -131.83 140.0 49.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -130.29 117.64 2.33 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.536 1.147 . . . . 0.0 110.997 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 86' ' ' LYS . 15.4 t -134.71 161.39 35.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 0.781 . . . . 0.0 109.994 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.732 HG22 ' HE3' ' A' ' 105' ' ' MET . 53.5 t -70.99 158.86 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.368 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.661 ' O ' HG23 ' A' ' 84' ' ' VAL . 10.6 mttt . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.404 ' HA ' ' SD ' ' A' ' 105' ' ' MET . 0.1 OUTLIER 44.38 63.67 1.58 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.547 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 82' ' ' LYS . 97.0 t -132.09 138.34 52.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.364 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.619 ' CG ' HD21 ' A' ' 109' ' ' LEU . 4.9 p90 -127.67 149.58 50.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 0.0 110.958 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 73' ' ' SER . 20.9 ttmt -99.45 138.23 36.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.41 HD12 ' O ' ' A' ' 71' ' ' GLN . 42.0 tp -121.8 107.3 12.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -107.05 114.81 4.44 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.483 1.114 . . . . 0.0 110.986 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.529 HD23 ' N ' ' A' ' 89' ' ' LEU . 4.4 mt -76.27 176.27 8.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.572 0.807 . . . . 0.0 109.26 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -81.07 -16.02 54.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.452 1.095 . . . . 0.0 110.256 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.93 11.14 14.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 74.69 26.97 66.02 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.531 1.144 . . . . 0.0 110.996 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.77 114.06 26.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 0.756 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -107.1 134.72 49.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.342 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -133.38 153.16 51.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 111.023 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.422 ' O ' ' O ' ' A' ' 15' ' ' CYS . 33.6 mt -120.4 123.31 42.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.816 ' HB3' HD23 ' A' ' 14' ' ' LEU . 98.7 m-85 -122.07 128.36 51.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.98 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.482 ' HA ' HG22 ' A' ' 84' ' ' VAL . 31.2 tt0 -102.48 111.56 23.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 110.356 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.646 ' HA ' HD11 ' A' ' 14' ' ' LEU . . . -75.34 177.18 6.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 101' ' ' ASP . 0.0 OUTLIER -82.06 -25.72 34.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.252 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.42 ' N ' ' HG3' ' A' ' 100' ' ' LYS . 7.0 m-20 -170.15 -176.13 2.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -55.32 -46.75 76.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.318 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.16 -71.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -38.74 -45.86 1.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.323 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.732 ' HE3' HG22 ' A' ' 74' ' ' VAL . 13.5 ttp -63.97 -68.18 0.37 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.21 -45.7 5.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 110.053 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.846 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.3 OUTLIER -55.2 -55.1 35.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.984 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.561 ' CH2' ' HB3' ' A' ' 37' ' ' CYS . 34.1 m95 -44.63 -64.98 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 108.015 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.619 HD21 ' CG ' ' A' ' 85' ' ' PHE . 1.1 mm? -42.98 -51.73 5.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.413 1.071 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.424 ' NH1' ' OE2' ' A' ' 8' ' ' GLU . 34.6 ttp85 -56.1 -36.64 68.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.332 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.947 HG12 HD22 ' A' ' 39' ' ' LEU . 17.4 t -77.67 -59.77 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.48 ' N ' ' O ' ' A' ' 108' ' ' TRP . 93.4 t -46.33 -38.52 3.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -71.26 -36.47 71.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 111' ' ' VAL . . . -69.87 -15.75 63.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.67 ' HB1' ' HA2' ' A' ' 42' ' ' GLY . . . -93.08 -47.15 7.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 35.3 mt -52.88 -61.25 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 109.334 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -46.98 -63.33 1.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 13.6 t . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.045 179.961 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.449 ' N ' ' OE1' ' A' ' 8' ' ' GLU . 3.4 mp0 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.498 ' HA ' HD23 ' A' ' 39' ' ' LEU . 0.6 OUTLIER -122.87 149.77 43.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.267 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.622 ' HE1' ' CD1' ' A' ' 108' ' ' TRP . 7.2 ttt -155.1 128.9 8.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.464 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 8.7 pt-20 -144.66 123.25 12.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 110.354 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.72 160.74 34.45 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.52 1.137 . . . . 0.0 110.997 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.727 ' O ' HD12 ' A' ' 14' ' ' LEU . 1.8 mmt -59.08 124.54 20.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 0.759 . . . . 0.0 111.039 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.827 HD23 ' HB3' ' A' ' 97' ' ' PHE . 1.6 mp -144.12 153.76 42.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.424 ' O ' ' O ' ' A' ' 96' ' ' LEU . 0.1 OUTLIER -96.69 96.41 8.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 108.284 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.576 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 12.6 ttp180 -87.98 109.46 19.84 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.531 ' HD3' ' CE2' ' A' ' 32' ' ' TRP . 0.1 OUTLIER -116.29 99.93 7.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.482 ' HG3' ' CB ' ' A' ' 27' ' ' ALA . 3.5 tp60 -59.91 140.89 56.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.326 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.445 ' N ' ' OE1' ' A' ' 18' ' ' GLN . 4.5 mm-40 -125.23 -54.56 1.59 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 110.324 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.457 ' CE ' ' O ' ' A' ' 25' ' ' LYS . 1.2 mtp -120.84 137.99 54.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.447 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 9.6 tt0 -100.9 -10.17 20.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.623 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . . . 177.66 166.03 0.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.329 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -47.41 104.99 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.77 -18.58 19.8 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.623 ' HB3' ' HB3' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -70.69 116.35 10.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 0.747 . . . . 0.0 109.314 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.88 139.48 31.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.482 ' CB ' ' HG3' ' A' ' 18' ' ' GLN . . . -72.92 130.36 40.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.86 -65.68 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -112.26 123.22 49.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.7 mtm180 -116.97 63.81 0.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.335 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.8 m -104.36 160.31 15.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.531 ' CE2' ' HD3' ' A' ' 17' ' ' LYS . 87.3 m95 -89.38 131.74 35.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 108.021 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.466 ' O ' HG23 ' A' ' 35' ' ' VAL . 40.3 mt-30 -147.35 137.06 22.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.153 . . . . 0.0 110.28 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -69.32 103.72 2.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.125 . . . . 0.0 109.316 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.487 ' CG1' ' HB3' ' A' ' 46' ' ' PHE . 22.0 t -122.69 123.72 68.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.254 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.549 ' CE1' ' HB2' ' A' ' 50' ' ' ALA . 48.5 t80 -74.39 111.14 9.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.085 . . . . 0.0 111.007 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.777 ' SG ' HD11 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -76.42 130.61 38.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 108.319 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 72.7 t -127.49 105.78 14.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 1.043 HD22 HG12 ' A' ' 111' ' ' VAL . 0.6 OUTLIER -99.17 138.52 36.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.36 145.34 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.254 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 54.29 19.14 2.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.575 1.172 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.597 ' HA2' ' HB1' ' A' ' 115' ' ' ALA . . . 76.76 42.29 21.46 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.486 1.117 . . . . 0.0 110.968 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 76.3 p -146.17 127.76 15.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 0.775 . . . . 0.0 110.031 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.777 HD11 ' SG ' ' A' ' 37' ' ' CYS . 35.3 tp -93.02 112.6 24.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.44 158.08 18.13 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.509 1.131 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.588 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 43.9 m-85 -120.68 138.63 53.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 0.76 . . . . 0.0 110.992 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.588 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 29.5 m-85 -149.58 164.37 35.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.96 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.97 -67.03 0.29 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.477 ' HA ' ' CE ' ' A' ' 13' ' ' MET . 0.6 OUTLIER -151.33 -177.7 6.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.549 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . . . -63.11 -13.16 33.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -82.12 -28.02 32.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . -85.8 -48.52 8.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -46.21 -53.8 9.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.6 t -51.41 -47.15 63.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.98 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.44 -34.97 78.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 52' ' ' ALA . . . 92.9 30.54 9.39 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.529 1.143 . . . . 0.0 110.984 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 47.0 t -99.27 123.91 46.9 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.54 0.788 . . . . 0.0 109.332 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 137.32 21.57 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.477 1.777 . . . . 0.0 110.979 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -46.44 -65.53 0.54 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.3 m170 -124.81 50.42 1.74 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.606 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 51.83 20.34 5.99 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -80.02 159.11 26.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 0.748 . . . . 0.0 110.263 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -105.92 168.25 8.51 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 141.28 26.41 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.482 1.78 . . . . 0.0 110.998 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.401 ' HB ' ' CD1' ' A' ' 89' ' ' LEU . 25.2 m -88.51 125.99 41.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.9 p -69.33 129.5 39.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.033 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.698 HD11 HD12 ' A' ' 39' ' ' LEU . 6.9 mt -92.41 27.53 2.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.9 110.53 8.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.3 mtm180 69.44 17.93 7.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 110.341 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -78.12 158.61 29.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -116.37 125.66 52.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 110.325 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -118.74 113.29 2.54 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.535 1.147 . . . . 0.0 110.954 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -137.22 155.92 48.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 0.755 . . . . 0.0 109.992 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.463 ' HA ' ' CB ' ' A' ' 85' ' ' PHE . 0.9 OUTLIER -77.53 163.91 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.416 ' N ' ' HA ' ' A' ' 85' ' ' PHE . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.262 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.763 ' O ' HG23 ' A' ' 84' ' ' VAL . 13.0 mmtt . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 39.63 60.1 1.69 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.602 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 82' ' ' LYS . 74.4 t -125.01 137.12 58.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.599 ' CG ' HD21 ' A' ' 109' ' ' LEU . 8.6 p90 -126.12 148.59 49.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 111.012 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.9 ttmt -99.5 133.01 44.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 52.4 tp -114.59 110.5 19.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -107.55 114.57 4.29 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.451 HD23 ' N ' ' A' ' 89' ' ' LEU . 6.4 mt -76.0 165.67 24.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 0.786 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -68.56 -26.76 65.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.301 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -75.49 -3.17 32.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 89.57 26.68 24.47 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.499 1.124 . . . . 0.0 110.964 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.66 108.68 20.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 0.767 . . . . 0.0 109.273 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -101.66 116.67 33.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.33 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -116.03 158.85 22.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 111.006 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.424 ' O ' ' O ' ' A' ' 15' ' ' CYS . 14.4 mt -124.93 119.47 28.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.827 ' HB3' HD23 ' A' ' 14' ' ' LEU . 99.6 m-85 -121.65 124.93 45.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.568 ' HA ' HG22 ' A' ' 84' ' ' VAL . 31.0 tt0 -99.02 115.36 28.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.44 ' HA ' HD11 ' A' ' 14' ' ' LEU . . . -78.46 176.99 8.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.342 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.0 pttt -83.58 -41.24 18.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -150.16 176.9 10.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -52.03 -45.79 64.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.276 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.02 -67.54 0.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -39.39 -47.15 1.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.352 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.445 ' CE ' ' HB ' ' A' ' 74' ' ' VAL . 8.9 ttp -63.3 -68.71 0.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 111.019 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.04 -47.58 4.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.955 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.881 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.3 OUTLIER -54.78 -55.57 28.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.028 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.622 ' CD1' ' HE1' ' A' ' 10' ' ' MET . 27.4 m95 -44.51 -65.99 0.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 107.996 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.599 HD21 ' CG ' ' A' ' 85' ' ' PHE . 1.1 mm? -42.64 -52.27 4.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 34.5 ttt180 -55.53 -36.64 66.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.273 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 1.043 HG12 HD22 ' A' ' 39' ' ' LEU . 17.3 t -77.42 -58.17 4.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.414 ' N ' ' O ' ' A' ' 108' ' ' TRP . 97.2 t -48.73 -40.69 11.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -70.05 -37.45 75.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.406 ' HB1' ' CD ' ' A' ' 8' ' ' GLU . . . -70.27 -15.87 62.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.597 ' HB1' ' HA2' ' A' ' 42' ' ' GLY . . . -92.89 -47.39 7.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 25.5 mt -52.28 -61.71 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -53.35 -61.22 2.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.339 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 22.9 m . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 110.028 179.953 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.459 ' HA ' HD23 ' A' ' 39' ' ' LEU . 1.4 mt-30 -97.06 142.57 28.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.278 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.802 ' HB2' HG11 ' A' ' 111' ' ' VAL . 8.7 ttt -140.67 132.9 28.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.496 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 14.4 pt-20 -147.72 122.56 9.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.276 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -168.0 161.11 34.87 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.704 ' O ' HD12 ' A' ' 14' ' ' LEU . 1.6 mmt -59.11 125.93 25.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 0.766 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.902 HD23 ' HB3' ' A' ' 97' ' ' PHE . 1.4 mp -146.12 156.44 43.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -99.16 96.2 7.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 108.289 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.56 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 7.7 ttp180 -88.14 122.48 31.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.252 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.407 ' HD2' ' NE1' ' A' ' 32' ' ' TRP . 2.3 tttt -124.13 105.95 9.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.484 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 6.2 tt0 -67.82 111.84 4.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.255 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -91.72 -59.46 2.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.268 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.429 ' HE3' ' O ' ' A' ' 25' ' ' LYS . 74.7 mmm -118.5 156.06 29.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 111.005 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -113.34 -15.72 12.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 110.325 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . -175.82 157.19 1.92 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -41.32 108.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 111.011 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.71 -37.27 3.18 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.49 1.119 . . . . 0.0 110.951 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.476 ' CE ' ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -65.21 124.03 21.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 0.768 . . . . 0.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.476 ' O ' ' CE ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -96.61 139.92 31.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.484 ' CB ' ' HG2' ' A' ' 18' ' ' GLN . . . -65.21 130.19 42.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.59 -66.92 0.27 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 31.8 t30 -104.85 124.67 49.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.365 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 77.7 mtm180 -116.8 75.01 0.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.3 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.4 t -120.13 169.31 10.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.028 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.407 ' NE1' ' HD2' ' A' ' 17' ' ' LYS . 71.7 m95 -96.31 135.65 37.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 108.026 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -147.02 135.81 22.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.301 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -69.17 104.06 2.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.478 ' CG1' ' HB3' ' A' ' 46' ' ' PHE . 40.1 t -124.98 127.26 72.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.409 ' CD2' HG23 ' A' ' 38' ' ' VAL . 54.5 t80 -73.86 111.52 9.08 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.424 1.078 . . . . 0.0 111.031 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.768 ' SG ' HD11 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -76.35 129.86 37.24 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 108.296 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.409 HG23 ' CD2' ' A' ' 36' ' ' TYR . 29.4 t -127.29 104.72 12.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 1.085 HD22 HG12 ' A' ' 111' ' ' VAL . 0.7 OUTLIER -101.62 144.56 30.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 0.0 109.251 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 42' ' ' GLY . 2.3 tpt180 -138.51 -148.86 0.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -66.6 71.43 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.107 . . . . 0.0 110.304 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 40' ' ' ARG . . . 75.41 54.81 5.38 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.451 1.094 . . . . 0.0 111.026 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.441 ' O ' ' HA ' ' A' ' 39' ' ' LEU . 62.0 p -159.79 166.01 31.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 0.77 . . . . 0.0 109.987 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.768 HD11 ' SG ' ' A' ' 37' ' ' CYS . 39.6 tp -151.06 100.33 2.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -97.71 156.36 20.6 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.47 1.106 . . . . 0.0 111.01 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.596 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 66.9 m-85 -114.78 138.51 50.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 0.732 . . . . 0.0 111.015 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.596 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 13.3 m-85 -146.87 157.63 43.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.113 . . . . 0.0 110.964 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -48.59 -68.62 0.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.506 ' HA ' ' HE3' ' A' ' 13' ' ' MET . 0.3 OUTLIER -148.97 -174.47 4.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.405 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . . . -65.46 -11.56 44.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.6 mmtm -80.08 -31.46 39.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.38 -41.78 15.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -49.17 -51.96 29.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.6 t -63.94 -26.82 68.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 110.022 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.769 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -92.91 11.55 26.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 42.61 36.13 2.25 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.519 1.137 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.769 HG23 ' O ' ' A' ' 55' ' ' ALA . 95.0 t -102.55 119.94 54.53 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.445 0.732 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 133.88 17.1 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.483 1.781 . . . . 0.0 110.971 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -46.72 -65.56 0.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 110.99 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -121.51 43.16 2.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.665 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 51.8 24.92 14.35 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.49 1.118 . . . . 0.0 111.017 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -87.28 136.37 32.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.55 0.794 . . . . 0.0 110.279 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 64' ' ' PRO . 0.8 OUTLIER -79.29 170.85 14.31 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.425 ' O ' HG23 ' A' ' 63' ' ' VAL . 18.4 Cg_endo -75.02 159.3 41.45 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.421 1.748 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.427 ' HB ' ' CD1' ' A' ' 89' ' ' LEU . 24.6 m -104.78 124.1 59.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.353 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.8 m -68.31 127.31 32.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.986 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.717 HD11 HD12 ' A' ' 39' ' ' LEU . 13.4 mt -89.44 43.45 1.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.102 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.414 ' HB3' HE21 ' A' ' 90' ' ' GLN . . . -88.13 118.06 27.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 64.99 21.53 12.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 110.27 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.624 ' O ' HD13 ' A' ' 116' ' ' ILE . . . -92.32 165.53 13.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.415 ' O ' HD12 ' A' ' 87' ' ' LEU . 1.1 mm-40 -138.84 150.36 45.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -133.33 120.79 2.66 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.533 1.146 . . . . 0.0 110.998 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 86' ' ' LYS . 32.7 t -137.77 161.6 36.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 0.764 . . . . 0.0 109.986 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.753 HG22 ' CE ' ' A' ' 105' ' ' MET . 46.5 t -65.11 160.85 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.35 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.411 ' N ' HG12 ' A' ' 74' ' ' VAL . . . . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.506 ' C ' ' CG ' ' A' ' 83' ' ' HIS . 34.0 mttp . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.506 ' CG ' ' C ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER 59.23 60.21 2.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.552 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 88.6 t -124.76 129.27 73.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.708 ' CG ' HD21 ' A' ' 109' ' ' LEU . 11.9 p90 -128.28 143.59 51.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.949 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 73' ' ' SER . 27.9 ttmt -90.6 141.61 28.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.583 HD13 HG11 ' A' ' 112' ' ' VAL . 45.5 tp -125.0 98.77 5.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -94.61 114.55 4.84 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.479 1.112 . . . . 0.0 110.958 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.427 ' CD1' ' HB ' ' A' ' 65' ' ' VAL . 4.0 mt -72.67 -169.07 0.51 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 0.761 . . . . 0.0 109.26 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.414 HE21 ' HB3' ' A' ' 68' ' ' ALA . 9.7 pt20 -94.94 -17.66 21.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.285 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -96.07 32.05 2.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 59.25 30.48 67.62 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.47 1.106 . . . . 0.0 111.028 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.35 106.03 17.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 0.765 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -101.71 138.16 39.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.422 1.076 . . . . 0.0 110.317 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.509 ' HB3' ' CE2' ' A' ' 97' ' ' PHE . 52.5 m-85 -132.89 160.87 35.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 111.039 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 47.2 mt -131.37 112.08 12.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.902 ' HB3' HD23 ' A' ' 14' ' ' LEU . 89.5 m-85 -115.02 125.76 53.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.966 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -99.43 112.26 24.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.443 ' HA ' HD11 ' A' ' 14' ' ' LEU . . . -73.29 178.53 4.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.88 -35.03 22.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -153.62 178.7 9.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -57.69 -40.06 78.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.13 . . . . 0.0 110.301 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.93 -66.27 0.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -40.18 -49.28 2.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.322 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.753 ' CE ' HG22 ' A' ' 74' ' ' VAL . 3.0 tmm? -61.14 -71.34 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 111.014 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.512 ' N ' ' SD ' ' A' ' 105' ' ' MET . 56.2 p -34.15 -48.47 0.32 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.981 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.813 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.3 OUTLIER -58.95 -55.54 33.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 110.013 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.586 ' O ' HG23 ' A' ' 112' ' ' VAL . 15.3 m95 -44.54 -51.32 9.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 108.026 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.708 HD21 ' CG ' ' A' ' 85' ' ' PHE . 2.8 mm? -56.83 -50.95 70.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 35.1 ttt85 -57.98 -42.24 84.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 110.309 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 1.085 HG12 HD22 ' A' ' 39' ' ' LEU . 16.0 t -69.22 -60.09 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.24 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 108' ' ' TRP . 72.1 t -45.07 -40.3 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -70.64 -38.57 73.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 111' ' ' VAL . . . -68.82 -19.08 64.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.732 ' HB2' HD21 ' A' ' 39' ' ' LEU . . . -88.06 -43.02 12.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.097 . . . . 0.0 109.312 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.624 HD13 ' O ' ' A' ' 70' ' ' ALA . 40.8 mt -54.78 -59.16 2.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -48.84 -59.29 3.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.563 1.165 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 0.0 109.987 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.414 ' HA ' HD23 ' A' ' 39' ' ' LEU . 2.0 mp0 -94.76 152.61 18.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.739 ' HB2' HG11 ' A' ' 111' ' ' VAL . 4.9 ttt -151.18 130.76 13.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.479 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 8.3 pt-20 -144.11 122.92 12.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -164.73 153.16 23.23 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.535 1.147 . . . . 0.0 111.005 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.729 ' O ' HD12 ' A' ' 14' ' ' LEU . 3.5 tpt -58.54 119.92 7.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 0.798 . . . . 0.0 110.964 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.729 HD12 ' O ' ' A' ' 13' ' ' MET . 1.8 mp -139.11 153.05 47.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -94.32 96.63 9.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 108.341 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.561 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 14.3 ttp180 -89.1 123.59 33.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -124.54 94.55 4.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.404 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 25.5 tt0 -61.11 110.31 1.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.454 ' O ' ' NE ' ' A' ' 30' ' ' ARG . 2.5 mm-40 -88.4 -51.75 5.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.404 ' SD ' ' O ' ' A' ' 25' ' ' LYS . 80.7 mmm -125.07 163.49 22.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.511 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 14.2 tt0 -115.07 -12.54 11.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.511 ' HB2' ' O ' ' A' ' 21' ' ' GLU . . . 174.59 173.28 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -47.69 118.5 2.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 110.991 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 59.05 14.41 24.49 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.515 1.135 . . . . 0.0 110.95 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.404 ' O ' ' SD ' ' A' ' 20' ' ' MET . 0.0 OUTLIER -101.07 121.59 42.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 0.754 . . . . 0.0 109.298 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -89.16 137.85 31.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 28' ' ' ALA . . . -76.01 138.28 40.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 27' ' ' ALA . . . -39.31 -62.74 0.62 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -133.17 119.23 19.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.454 ' NE ' ' O ' ' A' ' 19' ' ' GLU . 14.7 mtp180 -103.59 66.49 0.87 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.277 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.5 m -104.23 163.91 12.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.992 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 82.4 m95 -84.5 128.4 34.57 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 108.027 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.699 ' O ' HG23 ' A' ' 35' ' ' VAL . 64.8 mt-30 -147.36 123.87 11.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -60.85 102.99 0.22 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.699 HG23 ' O ' ' A' ' 33' ' ' GLN . 44.1 t -120.82 121.48 65.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.446 ' CE1' ' HB2' ' A' ' 50' ' ' ALA . 26.3 t80 -69.83 111.16 5.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 110.997 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.728 ' SG ' HD11 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -75.18 129.58 37.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 108.328 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.417 ' HB ' ' CE1' ' A' ' 47' ' ' TYR . 45.7 t -126.74 105.27 13.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.93 HD22 HG12 ' A' ' 111' ' ' VAL . 0.6 OUTLIER -102.2 144.01 31.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 42' ' ' GLY . 2.7 tpt180 -134.66 -148.36 0.31 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 110.339 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -66.18 69.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.324 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.567 ' HA2' ' HB1' ' A' ' 115' ' ' ALA . . . 77.55 55.98 4.06 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.446 ' O ' ' HA ' ' A' ' 39' ' ' LEU . 60.4 p -160.25 167.24 28.0 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.543 0.79 . . . . 0.0 109.993 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.728 HD11 ' SG ' ' A' ' 37' ' ' CYS . 52.4 tp -150.06 101.07 2.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -101.01 147.68 17.91 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.502 1.126 . . . . 0.0 111.016 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.481 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 67.9 m-85 -106.25 136.15 46.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 0.733 . . . . 0.0 110.961 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.481 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 6.8 m-85 -137.54 166.94 22.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.76 -63.8 1.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.553 ' H ' ' HB3' ' A' ' 52' ' ' ALA . 0.2 OUTLIER -152.63 -174.67 4.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.446 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . . . -61.0 -26.22 67.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -77.56 -14.49 59.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.561 1.163 . . . . 0.0 109.327 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.553 ' HB3' ' H ' ' A' ' 49' ' ' ASP . . . -97.42 -24.94 15.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.43 -40.26 73.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.5 t -70.81 -41.61 71.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.976 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.81 -3.79 33.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 57.97 44.77 94.38 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.548 1.155 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 78.4 t -104.41 105.58 50.36 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.476 0.75 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 128.83 11.78 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.486 1.782 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.409 ' C ' ' N ' ' A' ' 61' ' ' GLY . 5.3 t80 -49.18 117.27 2.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.954 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 11.1 m170 48.81 23.32 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.577 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.409 ' N ' ' C ' ' A' ' 59' ' ' TYR . . . 69.3 31.37 71.55 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.542 1.152 . . . . 0.0 110.959 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -77.11 115.43 16.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 0.775 . . . . 0.0 110.285 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.412 HG13 ' H ' ' A' ' 63' ' ' VAL . 1.1 m -65.11 164.89 19.11 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 152.68 40.91 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.55 1.816 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.474 ' HB ' ' CD1' ' A' ' 89' ' ' LEU . 27.3 m -97.69 125.11 50.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 38.9 m -70.67 129.96 40.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.031 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.604 HD11 ' CD1' ' A' ' 39' ' ' LEU . 19.9 mt -91.9 31.88 1.19 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.422 ' O ' ' CB ' ' A' ' 69' ' ' ARG . . . -82.39 108.06 15.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.422 ' CB ' ' O ' ' A' ' 68' ' ' ALA . 3.4 mmp_? 78.38 21.76 0.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 110.316 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.479 ' HB3' HG12 ' A' ' 116' ' ' ILE . . . -91.81 176.16 6.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.271 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -149.53 148.08 28.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -133.2 128.8 5.2 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 58.1 m -137.51 161.45 36.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 0.749 . . . . 0.0 110.021 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.801 HG22 ' CE ' ' A' ' 105' ' ' MET . 54.2 t -80.36 154.83 4.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 84' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.483 ' C ' ' CG ' ' A' ' 83' ' ' HIS . 68.8 mttt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.522 ' CG ' ' HA ' ' A' ' 101' ' ' ASP . 0.2 OUTLIER 63.61 55.3 1.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.593 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.543 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 59.5 t -122.67 140.41 46.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.593 ' CZ ' ' HB2' ' A' ' 97' ' ' PHE . 10.6 p90 -129.95 136.37 49.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 110.96 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.475 ' HA ' HD23 ' A' ' 96' ' ' LEU . 33.6 ttmt -86.03 153.57 22.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.095 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.416 HD13 HG11 ' A' ' 112' ' ' VAL . 55.3 tp -138.83 107.54 5.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 109.31 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -108.71 114.32 4.03 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.527 1.142 . . . . 0.0 110.949 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.474 ' CD1' ' HB ' ' A' ' 65' ' ' VAL . 5.4 mt -74.89 177.23 6.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 0.776 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -81.87 -17.21 48.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.307 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -85.24 8.73 17.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 79.24 21.24 67.87 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.533 1.145 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.41 119.03 29.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.571 0.806 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -110.81 126.05 54.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 110.298 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -124.41 159.19 30.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.475 HD23 ' HA ' ' A' ' 86' ' ' LYS . 13.4 mt -131.41 116.19 17.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.602 ' HB3' HD23 ' A' ' 14' ' ' LEU . 91.4 m-85 -117.98 127.53 53.91 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.456 ' HG3' HG22 ' A' ' 84' ' ' VAL . 12.2 tt0 -98.35 117.18 32.19 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.438 1.086 . . . . 0.0 110.275 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.564 ' HB1' ' HB3' ' A' ' 104' ' ' GLU . . . -90.82 150.23 21.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.7 pttp -52.3 -41.29 62.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.522 ' HA ' ' CG ' ' A' ' 83' ' ' HIS . 63.4 m-20 -157.03 169.99 23.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -50.58 -34.86 27.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.38 -63.06 1.35 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.564 ' HB3' ' HB1' ' A' ' 99' ' ' ALA . 0.5 OUTLIER -46.04 -54.96 7.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 110.323 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.801 ' CE ' HG22 ' A' ' 74' ' ' VAL . 13.6 tmm? -58.61 -63.89 1.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.459 ' C ' ' O ' ' A' ' 105' ' ' MET . 7.9 t -34.92 -42.85 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.971 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.833 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.3 OUTLIER -66.02 -51.48 57.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.041 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.578 ' CH2' ' HG2' ' A' ' 10' ' ' MET . 34.7 m95 -47.98 -63.16 1.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.556 HD21 ' CG ' ' A' ' 85' ' ' PHE . 0.5 OUTLIER -43.51 -50.26 7.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 45.5 ttt180 -56.8 -36.58 70.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.337 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.93 HG12 HD22 ' A' ' 39' ' ' LEU . 19.9 t -78.52 -59.11 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.471 ' N ' ' O ' ' A' ' 108' ' ' TRP . 83.8 t -46.65 -36.94 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -72.52 -36.6 68.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 111' ' ' VAL . . . -71.43 -18.9 62.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.567 ' HB1' ' HA2' ' A' ' 42' ' ' GLY . . . -88.61 -44.03 10.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.459 1.099 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.479 HG12 ' HB3' ' A' ' 70' ' ' ALA . 45.2 mt -54.84 -56.92 8.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -53.88 -42.53 68.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.029 179.951 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.822 ' HA ' HD23 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -101.25 158.68 15.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 110.29 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.788 ' HB2' HG11 ' A' ' 111' ' ' VAL . 7.2 ttt -155.89 132.08 10.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.479 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 8.0 pt-20 -144.23 125.03 14.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -168.29 157.99 30.49 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.523 1.14 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.68 ' O ' HD12 ' A' ' 14' ' ' LEU . 1.9 mmt -58.85 124.53 20.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 0.78 . . . . 0.0 110.986 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.867 HD23 ' HB3' ' A' ' 97' ' ' PHE . 1.3 mp -143.84 156.85 44.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.403 ' O ' ' O ' ' A' ' 96' ' ' LEU . 0.3 OUTLIER -98.11 96.3 8.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 108.257 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.545 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 10.2 ttp180 -88.62 119.49 29.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.281 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -124.08 97.78 5.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.464 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 20.6 tt0 -64.41 112.36 3.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 110.331 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.467 ' OE2' ' N ' ' A' ' 96' ' ' LEU . 1.9 mp0 -93.25 -46.61 7.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 110.35 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.5 ' CE ' ' O ' ' A' ' 25' ' ' LYS . 91.0 mmm -127.04 154.23 44.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.493 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 5.3 tt0 -110.68 -12.72 14.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.329 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.493 ' HB2' ' O ' ' A' ' 21' ' ' GLU . . . 175.88 174.72 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.316 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -48.55 115.31 1.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 61.6 12.25 32.82 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.506 1.129 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.5 ' O ' ' CE ' ' A' ' 20' ' ' MET . 0.0 OUTLIER -96.77 127.71 43.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 0.787 . . . . 0.0 109.248 -179.94 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.4 ptpt -93.86 138.63 31.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.242 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.464 ' CB ' ' HG2' ' A' ' 18' ' ' GLN . . . -78.6 133.49 37.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.44 -69.06 0.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -106.93 121.94 45.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 28.9 mtm180 -115.87 62.57 0.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.329 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.86 158.22 24.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 0.0 109.974 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 85.1 m95 -79.67 132.32 36.19 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.43 ' O ' HG23 ' A' ' 35' ' ' VAL . 52.8 mt-30 -147.16 134.63 20.84 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.52 103.76 1.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.348 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.482 ' CG1' ' HB3' ' A' ' 46' ' ' PHE . 33.2 t -124.46 125.14 69.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.107 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.595 ' CE1' ' HB2' ' A' ' 50' ' ' ALA . 54.8 t80 -71.82 111.6 7.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.882 ' SG ' HD11 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -77.22 127.17 32.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 108.305 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 52.2 t -123.34 105.43 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.242 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.946 HD22 HG12 ' A' ' 111' ' ' VAL . 0.9 OUTLIER -99.5 144.6 28.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.472 ' O ' ' N ' ' A' ' 42' ' ' GLY . 3.4 tpt180 -144.61 -145.77 0.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 110.323 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.421 ' NH1' ' HB3' ' A' ' 41' ' ' ARG . 5.4 mmm180 -66.0 66.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.357 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.583 ' HA2' ' HB1' ' A' ' 115' ' ' ALA . . . 71.45 50.88 19.0 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.54 1.15 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 79.4 p -160.1 127.09 4.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 0.792 . . . . 0.0 109.945 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.882 HD11 ' SG ' ' A' ' 37' ' ' CYS . 19.6 tp -110.86 105.31 14.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -98.27 145.14 17.64 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.472 1.108 . . . . 0.0 111.038 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.519 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 64.9 m-85 -106.1 137.71 43.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.763 . . . . 0.0 111.035 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.519 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 16.7 m-85 -143.17 167.9 21.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.932 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.5 ttpt -61.09 -55.79 28.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.481 ' H ' ' HB3' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -154.97 -175.31 5.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.595 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . . . -67.83 -17.71 64.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.0 mmtp -84.01 -22.28 31.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.481 ' HB3' ' H ' ' A' ' 49' ' ' ASP . . . -90.63 -26.42 19.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.456 ' HA ' ' CD2' ' A' ' 47' ' ' TYR . . . -73.26 -42.15 62.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.13 -39.38 89.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.981 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.53 -4.31 45.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.328 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 65.82 29.44 75.07 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.553 1.158 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 46.8 t -96.5 116.57 66.2 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.497 0.763 . . . . 0.0 109.292 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 140.96 26.08 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.484 1.781 . . . . 0.0 111.016 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -43.06 -64.58 0.61 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.999 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -129.18 5.43 5.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.593 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 97.69 7.79 56.39 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.49 1.119 . . . . 0.0 110.984 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.44 ' O ' ' O ' ' A' ' 63' ' ' VAL . 54.6 mt-10 -70.36 100.61 1.77 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 0.754 . . . . 0.0 110.319 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.44 ' O ' ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -42.94 166.99 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 163.27 35.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.527 1.804 . . . . 0.0 110.955 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.421 HG22 ' O ' ' A' ' 44' ' ' LEU . 19.4 m -107.46 122.87 62.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.351 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 13.6 t -58.79 136.78 57.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.992 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.719 HD11 HD12 ' A' ' 39' ' ' LEU . 90.2 mt -104.3 50.43 0.79 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.613 ' O ' HG23 ' A' ' 116' ' ' ILE . . . -57.82 -114.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.0 mmt180 -84.72 14.83 4.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.316 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.503 ' O ' HG21 ' A' ' 116' ' ' ILE . . . -43.64 165.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.682 ' O ' HD12 ' A' ' 87' ' ' LEU . 6.3 pt20 -123.21 146.69 47.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.279 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.491 ' C ' ' CD1' ' A' ' 109' ' ' LEU . . . -133.7 108.82 0.76 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.544 1.153 . . . . 0.0 110.981 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.5 t -132.4 160.21 37.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 0.755 . . . . 0.0 110.036 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.686 HG22 ' CE ' ' A' ' 105' ' ' MET . 49.9 t -74.33 154.19 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.431 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 26.2 mttt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.41 ' HA ' ' SD ' ' A' ' 105' ' ' MET . 0.0 OUTLIER 52.4 68.4 0.83 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 109.586 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.479 HG22 ' HA ' ' A' ' 98' ' ' GLN . 82.0 t -138.5 137.86 43.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.621 ' CG ' HD21 ' A' ' 109' ' ' LEU . 3.6 p90 -128.99 149.0 51.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.467 ' HE3' HD21 ' A' ' 96' ' ' LEU . 0.2 OUTLIER -98.9 125.62 44.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.682 HD12 ' O ' ' A' ' 71' ' ' GLN . 36.2 tp -107.68 112.12 24.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -110.1 115.71 4.21 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.467 1.104 . . . . 0.0 111.021 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.41 HD11 ' HB ' ' A' ' 65' ' ' VAL . 6.7 mt -73.5 -173.0 1.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 0.751 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -93.71 -1.24 55.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.266 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -108.06 22.34 16.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.088 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 67.37 28.13 73.61 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.546 1.154 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.74 105.45 16.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 0.78 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -100.43 143.57 30.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.443 ' HB3' ' CE2' ' A' ' 97' ' ' PHE . 65.4 m-85 -136.21 158.24 44.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 111.023 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.467 ' N ' ' OE2' ' A' ' 19' ' ' GLU . 27.2 mt -126.72 120.56 29.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.867 ' HB3' HD23 ' A' ' 14' ' ' LEU . 94.4 m-85 -124.86 137.07 54.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.479 ' HA ' HG22 ' A' ' 84' ' ' VAL . 10.3 tt0 -112.16 114.1 26.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.269 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.594 ' HA ' HD11 ' A' ' 14' ' ' LEU . . . -81.27 169.78 16.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.0 pttt -64.76 -34.17 77.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.403 ' HA ' ' CG ' ' A' ' 83' ' ' HIS . 39.5 m-20 -165.99 -179.44 5.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -52.63 -35.61 54.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 110.26 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.21 -70.62 0.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.099 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.53 ' HB3' ' HB1' ' A' ' 99' ' ' ALA . 0.4 OUTLIER -46.4 -44.63 17.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.686 ' CE ' HG22 ' A' ' 74' ' ' VAL . 14.2 ttp -63.26 -68.53 0.33 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 111.02 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 37.0 t -41.72 -44.68 3.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.001 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.844 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.3 OUTLIER -57.12 -55.22 37.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 1.17 . . . . 0.0 109.995 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.524 ' CZ3' ' HG2' ' A' ' 10' ' ' MET . 37.4 m95 -41.28 -65.62 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 108.024 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.621 HD21 ' CG ' ' A' ' 85' ' ' PHE . 1.0 OUTLIER -41.58 -56.99 2.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 42.3 ttt-85 -50.48 -36.45 33.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.426 1.079 . . . . 0.0 110.28 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.946 HG12 HD22 ' A' ' 39' ' ' LEU . 7.3 t -78.35 -59.85 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.574 HG11 HD13 ' A' ' 87' ' ' LEU . 69.5 t -46.76 -43.14 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -67.04 -37.07 83.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 111' ' ' VAL . . . -66.04 -18.83 65.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.583 ' HB1' ' HA2' ' A' ' 42' ' ' GLY . . . -91.04 -38.39 12.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.613 HG23 ' O ' ' A' ' 68' ' ' ALA . 17.5 mt -69.11 -36.63 74.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.04 -47.91 64.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 109.978 179.979 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -98.06 151.69 20.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.291 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.587 ' CB ' HG11 ' A' ' 111' ' ' VAL . 7.6 ttt -154.54 127.37 8.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.951 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.448 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 6.9 pt-20 -143.25 124.96 14.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.16 161.32 34.92 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.481 1.113 . . . . 0.0 111.033 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.727 ' O ' HD12 ' A' ' 14' ' ' LEU . 1.8 mmt -59.44 125.66 24.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 0.789 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.9 HD23 ' HB3' ' A' ' 97' ' ' PHE . 1.4 mp -145.53 154.69 42.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.427 ' O ' ' HA ' ' A' ' 97' ' ' PHE . 0.5 OUTLIER -96.53 95.48 8.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 108.285 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.575 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 8.9 ttp180 -87.95 119.97 28.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.42 ' HD2' ' NE1' ' A' ' 32' ' ' TRP . 0.7 OUTLIER -123.94 108.37 12.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.708 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 45.8 tt0 -70.01 111.52 5.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.332 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -87.97 -46.19 9.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.325 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 85.9 mmm -137.64 141.99 41.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 2.7 tt0 -100.1 -10.67 21.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.301 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.409 ' HB2' ' O ' ' A' ' 21' ' ' GLU . . . -179.91 174.46 0.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -52.98 119.74 5.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 59.84 15.38 34.45 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.5 ' CE ' ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -109.28 123.99 50.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 0.749 . . . . 0.0 109.286 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.5 ' O ' ' CE ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -87.13 149.14 24.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.708 ' HB2' ' HG2' ' A' ' 18' ' ' GLN . . . -67.5 153.0 44.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 109.345 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -43.16 -80.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -83.01 -53.6 5.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.09 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.585 ' HG3' ' HB3' ' A' ' 27' ' ' ALA . 0.0 OUTLIER 72.19 47.89 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.312 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.1 p -120.59 166.35 13.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.038 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.42 ' NE1' ' HD2' ' A' ' 17' ' ' LYS . 82.0 m95 -82.67 128.42 34.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 108.04 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.466 ' O ' HG23 ' A' ' 35' ' ' VAL . 48.0 mt-30 -142.83 133.46 25.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -66.85 103.59 1.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 109.311 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.495 HG11 ' HB3' ' A' ' 46' ' ' PHE . 38.4 t -125.74 127.31 71.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.475 ' CE2' HG22 ' A' ' 38' ' ' VAL . 59.5 t80 -74.8 114.31 13.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 110.988 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.702 ' SG ' HD11 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -78.36 132.98 37.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 108.29 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.475 HG22 ' CE2' ' A' ' 36' ' ' TYR . 87.1 t -132.43 105.59 9.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 1.064 HD22 HG12 ' A' ' 111' ' ' VAL . 0.8 OUTLIER -96.21 135.53 37.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -169.08 139.34 2.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.257 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 51.25 28.81 4.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.322 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.653 ' HA2' ' HB1' ' A' ' 115' ' ' ALA . . . 70.82 45.23 53.35 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 95.4 p -146.7 123.21 11.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 0.781 . . . . 0.0 109.978 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.702 HD11 ' SG ' ' A' ' 37' ' ' CYS . 32.2 tp -89.87 111.38 22.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.67 154.02 19.27 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.512 1.133 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.495 ' HB3' HG11 ' A' ' 35' ' ' VAL . 31.4 m-85 -116.06 133.9 55.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.772 . . . . 0.0 111.018 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.478 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 34.3 m-85 -144.66 161.56 38.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.965 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.474 ' O ' ' HE1' ' A' ' 13' ' ' MET . 0.6 OUTLIER -52.62 -67.67 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.485 ' HA ' ' HE3' ' A' ' 13' ' ' MET . 2.2 m-20 -152.23 -175.78 5.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.2 -13.84 31.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -79.98 -30.96 39.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.153 . . . . 0.0 109.278 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . -84.58 -54.65 4.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -41.26 -48.68 3.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.12 -43.33 99.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 110.023 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 52' ' ' ALA . . . -76.66 -1.42 27.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.156 . . . . 0.0 109.26 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 52' ' ' ALA . . . 58.45 36.04 82.47 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.486 1.116 . . . . 0.0 110.95 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 91.8 t -103.23 122.3 45.75 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.51 0.771 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 133.41 16.59 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.495 1.787 . . . . 0.0 110.979 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -47.67 -65.17 0.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 111.026 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -120.1 40.36 3.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 109.587 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 54.87 22.11 25.74 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.46 1.1 . . . . 0.0 110.981 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -87.13 136.18 33.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 0.76 . . . . 0.0 110.344 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -79.88 171.74 11.64 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 144.9 30.75 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 0.0 111.028 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.444 ' HB ' HD11 ' A' ' 89' ' ' LEU . 16.6 m -90.13 126.74 42.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.4 m -69.66 124.75 24.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.022 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.594 HD11 HD12 ' A' ' 39' ' ' LEU . 6.2 mt -88.89 43.01 1.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.433 ' HB1' ' HD2' ' A' ' 69' ' ' ARG . . . -88.27 122.31 31.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.433 ' HD2' ' HB1' ' A' ' 68' ' ' ALA . 0.3 OUTLIER 59.43 22.34 10.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -84.66 170.66 13.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.577 1.173 . . . . 0.0 109.341 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.47 ' O ' HD12 ' A' ' 87' ' ' LEU . 2.3 pt20 -130.23 139.44 50.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.344 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -135.41 110.53 0.83 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.471 1.107 . . . . 0.0 111.009 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.2 t -137.92 161.29 37.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 0.778 . . . . 0.0 109.999 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.626 HG22 ' CE ' ' A' ' 105' ' ' MET . 36.0 t -65.01 147.25 12.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 -179.987 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.429 ' C ' ' CG ' ' A' ' 83' ' ' HIS . 31.3 mttt . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.429 ' CG ' ' C ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER 49.96 67.27 0.93 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.414 1.071 . . . . 0.0 109.62 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.466 ' CG2' ' HG3' ' A' ' 98' ' ' GLN . 87.6 t -130.32 128.25 63.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.713 ' CB ' HD21 ' A' ' 109' ' ' LEU . 14.5 p90 -126.76 143.49 51.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.433 ' HA ' HD23 ' A' ' 96' ' ' LEU . 13.2 ttmt -89.78 149.88 22.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.47 HD12 ' O ' ' A' ' 71' ' ' GLN . 46.3 tp -134.04 98.84 4.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -95.46 114.37 4.86 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.444 HD11 ' HB ' ' A' ' 65' ' ' VAL . 3.8 mt -72.75 -168.24 0.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 0.761 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -98.43 -13.17 20.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.267 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -99.54 29.1 4.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 62.09 33.34 85.45 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.463 1.102 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.67 107.92 19.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 0.779 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -104.55 135.01 46.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 110.282 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 -132.58 156.12 47.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 86' ' ' LYS . 55.6 mt -126.39 120.54 30.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.9 ' HB3' HD23 ' A' ' 14' ' ' LEU . 95.9 m-85 -119.38 121.18 38.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 110.975 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.466 ' HG3' ' CG2' ' A' ' 84' ' ' VAL . 31.1 tt0 -95.85 103.83 15.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 110.331 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.523 ' HA ' HD11 ' A' ' 14' ' ' LEU . . . -64.95 179.49 0.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.7 pttt -86.09 -34.18 20.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -155.15 177.06 11.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.259 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -53.66 -49.89 66.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 110.288 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' A' ' 104' ' ' GLU . . . -52.19 -67.72 0.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.473 ' HG2' ' HB1' ' A' ' 99' ' ' ALA . 1.0 OUTLIER -37.19 -51.58 1.02 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.264 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.626 ' CE ' HG22 ' A' ' 74' ' ' VAL . 3.6 tmm? -58.16 -71.79 0.1 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 111.04 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.533 ' N ' ' SD ' ' A' ' 105' ' ' MET . 0.4 OUTLIER -35.24 -49.06 0.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.986 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.866 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.3 OUTLIER -56.59 -53.3 59.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.021 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.579 ' CH2' ' HB3' ' A' ' 37' ' ' CYS . 22.0 m95 -49.08 -49.49 41.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 108.005 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.713 HD21 ' CB ' ' A' ' 85' ' ' PHE . 2.5 mm? -58.39 -48.12 81.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 38.7 ttt180 -60.32 -41.4 93.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.276 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 1.064 HG12 HD22 ' A' ' 39' ' ' LEU . 17.8 t -70.92 -58.22 5.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 108' ' ' TRP . 73.7 t -49.86 -35.54 10.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.435 ' ND2' ' O ' ' A' ' 109' ' ' LEU . 13.0 m-80 -72.12 -38.34 69.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.52 -17.65 64.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.653 ' HB1' ' HA2' ' A' ' 42' ' ' GLY . . . -91.13 -44.45 9.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 46.0 mt -56.51 -58.51 5.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -53.57 -60.31 3.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.1 t . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.986 -179.978 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.433 ' HB2' ' CB ' ' A' ' 114' ' ' ALA . 7.2 mp0 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.507 ' HA ' HD23 ' A' ' 39' ' ' LEU . 4.7 pp0? -99.91 160.42 14.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 110.336 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.711 ' CB ' HG11 ' A' ' 111' ' ' VAL . 7.1 ttt -166.2 129.54 2.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 111.02 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.421 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 5.9 pt-20 -144.35 132.94 22.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -172.21 171.28 44.13 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.463 1.102 . . . . 0.0 110.983 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.677 ' O ' HD12 ' A' ' 14' ' ' LEU . 1.0 OUTLIER -72.87 120.43 18.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 110.998 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.677 HD12 ' O ' ' A' ' 13' ' ' MET . 1.5 mp -140.63 155.47 46.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.455 ' O ' ' HA ' ' A' ' 97' ' ' PHE . 0.3 OUTLIER -95.71 95.47 8.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 108.281 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.568 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 12.0 ttp180 -87.33 119.36 27.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.325 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.1 tttt -122.73 94.97 4.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.474 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 9.7 tt0 -59.21 109.56 0.89 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 110.245 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -90.53 -54.11 4.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.276 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 7.2 mtp -117.55 142.53 47.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -111.18 -15.78 13.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 110.323 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.448 ' HA ' ' O ' ' A' ' 92' ' ' GLY . . . -169.94 164.67 9.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -45.63 121.16 2.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 111.039 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 53.6 19.32 9.27 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.459 1.1 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.432 ' CB ' ' HB3' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -110.71 125.94 54.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 0.737 . . . . 0.0 109.332 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.428 ' O ' ' CE ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -92.84 137.54 32.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.474 ' CB ' ' HG2' ' A' ' 18' ' ' GLN . . . -71.21 140.3 50.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 27' ' ' ALA . . . -40.12 -78.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.0 p-10 -90.38 134.83 34.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.8 mtm180 -128.18 54.24 1.75 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.311 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.6 m -108.24 160.04 16.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.999 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.423 ' CH2' ' HB3' ' A' ' 96' ' ' LEU . 85.7 m95 -83.58 133.13 34.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 107.989 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -146.34 133.41 20.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -65.94 103.71 0.98 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.47 ' CG1' ' HB3' ' A' ' 46' ' ' PHE . 80.2 t -120.93 129.72 75.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.45 ' CD2' ' HB2' ' A' ' 53' ' ' ALA . 6.5 t80 -76.22 109.77 10.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.974 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.61 ' SG ' ' CE1' ' A' ' 97' ' ' PHE . 0.5 OUTLIER -76.92 132.94 39.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 108.339 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 70.0 t -133.84 105.63 7.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.966 HD22 HG12 ' A' ' 111' ' ' VAL . 0.7 OUTLIER -98.01 137.71 36.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -170.19 146.2 2.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.294 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.431 ' HB2' ' NH1' ' A' ' 41' ' ' ARG . 0.6 OUTLIER 42.9 30.53 0.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 110.313 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.629 ' HA2' ' HB1' ' A' ' 115' ' ' ALA . . . 69.27 54.78 11.97 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.517 1.135 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -157.52 124.17 4.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 0.74 . . . . 0.0 109.989 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.547 HD11 ' SG ' ' A' ' 37' ' ' CYS . 27.2 tp -91.39 121.5 33.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -109.59 155.68 15.97 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.548 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 37.7 m-85 -122.41 136.99 55.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 0.762 . . . . 0.0 111.013 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.548 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 17.0 m-85 -146.36 152.73 39.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -40.59 -58.45 1.6 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.463 ' HA ' ' HE3' ' A' ' 13' ' ' MET . 2.4 m-20 -162.05 -173.45 3.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.409 ' HA ' ' CE2' ' A' ' 36' ' ' TYR . . . -63.85 -13.03 41.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.16 -19.14 30.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.417 ' HB1' ' HB ' ' A' ' 57' ' ' VAL . . . -97.37 -17.62 19.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.45 ' HB2' ' CD2' ' A' ' 36' ' ' TYR . . . -74.23 -38.38 63.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.57 -40.41 76.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 110.014 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -81.63 -7.7 59.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 62.7 49.57 71.91 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.457 1.098 . . . . 0.0 111.012 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.417 ' HB ' ' HB1' ' A' ' 52' ' ' ALA . 96.5 t -103.47 106.42 51.76 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.761 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 128.68 11.68 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.513 1.796 . . . . 0.0 111.001 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -47.9 115.48 1.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.978 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 12.0 m170 50.63 22.13 1.03 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.608 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.67 33.9 50.57 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -85.71 127.42 34.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 0.775 . . . . 0.0 110.268 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -81.85 170.92 13.35 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.427 1.08 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.438 ' HA ' ' O ' ' A' ' 44' ' ' LEU . 18.4 Cg_endo -74.98 147.16 33.63 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.459 1.768 . . . . 0.0 111.027 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 19.6 m -90.04 125.63 42.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.3 p -69.21 127.04 31.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.006 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.589 HD11 HD12 ' A' ' 39' ' ' LEU . 12.9 mt -89.56 41.97 1.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -84.76 111.32 19.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.9 mtm180 70.28 18.44 6.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.317 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.428 ' CB ' ' HA ' ' A' ' 89' ' ' LEU . . . -83.06 172.32 12.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -150.07 133.79 16.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -112.51 116.79 4.15 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.486 1.116 . . . . 0.0 111.021 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.2 t -123.2 159.71 28.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 0.776 . . . . 0.0 110.011 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.75 HG22 ' HE3' ' A' ' 105' ' ' MET . 82.8 t -87.33 154.15 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 -179.959 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 34.8 mttt . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.425 ' HA ' ' SD ' ' A' ' 105' ' ' MET . 0.0 OUTLIER 53.1 64.77 1.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.572 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.673 HG22 ' HG3' ' A' ' 98' ' ' GLN . 62.6 t -128.82 136.55 59.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.653 ' CG ' HD21 ' A' ' 109' ' ' LEU . 19.1 p90 -127.04 139.97 52.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.567 ' HA ' HD23 ' A' ' 96' ' ' LEU . 26.5 ttmt -91.9 118.48 30.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.105 . . . . 0.0 109.246 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.56 HD13 HG11 ' A' ' 112' ' ' VAL . 35.3 tp -94.73 98.6 10.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.276 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -97.8 113.62 4.77 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.567 1.167 . . . . 0.0 111.003 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.458 HD12 ' HB3' ' A' ' 93' ' ' LYS . 16.7 mt -68.45 -130.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 0.766 . . . . 0.0 109.268 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.586 ' O ' ' CB ' ' A' ' 91' ' ' ASP . 2.7 pt20 -86.61 23.89 1.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.324 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.586 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 5.6 t0 88.71 -19.79 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.448 ' O ' ' HA ' ' A' ' 22' ' ' ALA . . . -89.16 9.93 74.99 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.509 1.131 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.458 ' HB3' HD12 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -166.33 130.69 2.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 0.767 . . . . 0.0 109.279 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -142.24 119.72 11.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.317 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -115.94 165.52 13.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.567 HD23 ' HA ' ' A' ' 86' ' ' LYS . 13.0 mt -129.49 108.41 10.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.633 ' HB2' ' CZ ' ' A' ' 85' ' ' PHE . 98.5 m-85 -107.51 138.91 42.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.673 ' HG3' HG22 ' A' ' 84' ' ' VAL . 35.7 tt0 -113.48 99.98 8.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 110.294 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.634 ' HA ' HD11 ' A' ' 14' ' ' LEU . . . -58.56 175.63 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.39 -23.47 30.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -170.1 -176.56 2.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -56.62 -39.09 73.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.296 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.84 -71.49 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -40.93 -43.35 2.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 110.293 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.75 ' HE3' HG22 ' A' ' 74' ' ' VAL . 8.9 ttp -63.13 -68.95 0.3 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.7 t -45.3 -50.95 11.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.986 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.742 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.3 OUTLIER -49.59 -59.07 4.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 110.04 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.579 ' CH2' ' HB3' ' A' ' 37' ' ' CYS . 24.0 m95 -42.95 -64.36 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 107.996 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.653 HD21 ' CG ' ' A' ' 85' ' ' PHE . 1.0 OUTLIER -44.18 -50.56 8.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.416 ' HB3' ' O ' ' A' ' 107' ' ' SER . 19.0 ttp85 -57.27 -34.96 69.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 110.296 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.966 HG12 HD22 ' A' ' 39' ' ' LEU . 23.1 t -78.84 -59.67 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.56 HG11 HD13 ' A' ' 87' ' ' LEU . 92.4 t -46.6 -38.71 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -71.33 -37.13 71.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 111' ' ' VAL . . . -68.15 -17.35 64.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.629 ' HB1' ' HA2' ' A' ' 42' ' ' GLY . . . -92.16 -45.9 8.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 29.0 mt -55.95 -62.26 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -49.19 -63.15 1.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.14 . . . . 0.0 109.23 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 6.3 t . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.996 -179.933 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.59 ' HA ' HD23 ' A' ' 39' ' ' LEU . 7.6 mp0 -98.41 144.89 27.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.256 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.9 ' HB2' HG11 ' A' ' 111' ' ' VAL . 7.1 ttt -143.35 128.07 18.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.478 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 8.2 pt-20 -142.07 124.41 15.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 110.264 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.44 159.72 32.68 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.539 1.149 . . . . 0.0 111.005 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.734 ' O ' HD12 ' A' ' 14' ' ' LEU . 1.8 mmt -58.49 124.44 19.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 0.795 . . . . 0.0 111.033 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.897 HD23 ' HB3' ' A' ' 97' ' ' PHE . 1.5 mp -145.64 154.77 42.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.438 ' O ' ' HA ' ' A' ' 97' ' ' PHE . 0.5 OUTLIER -97.35 97.14 8.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 108.328 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.562 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 15.6 ttp180 -87.44 120.1 28.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 110.265 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.516 ' HD2' ' CE2' ' A' ' 32' ' ' TRP . 6.0 tttt -124.86 97.92 5.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.8 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 14.2 tt0 -59.06 109.28 0.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.269 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -85.94 -48.36 8.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.462 ' HE3' ' O ' ' A' ' 25' ' ' LYS . 72.6 mmm -130.49 148.84 52.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.47 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 7.1 tt0 -106.49 -11.62 15.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.316 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.47 ' HB2' ' O ' ' A' ' 21' ' ' GLU . . . 176.98 158.89 0.35 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -39.9 109.02 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 110.941 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.01 -39.21 3.1 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.514 1.134 . . . . 0.0 111.034 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.462 ' O ' ' HE3' ' A' ' 20' ' ' MET . 0.0 OUTLIER -68.04 126.34 29.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 0.73 . . . . 0.0 109.327 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.411 ' N ' ' HE3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -105.6 139.6 39.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.8 ' HB2' ' HG2' ' A' ' 18' ' ' GLN . . . -56.38 135.83 53.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.085 . . . . 0.0 109.251 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.99 -67.45 0.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.107 . . . . 0.0 109.319 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -54.33 -66.77 0.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.346 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.4 ' HA ' ' O ' ' A' ' 18' ' ' GLN . 2.8 ttt180 52.12 50.46 18.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 110.29 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 66.0 m -119.7 167.12 12.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.979 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.516 ' CE2' ' HD2' ' A' ' 17' ' ' LYS . 86.6 m95 -88.74 127.53 35.6 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.447 ' O ' HG23 ' A' ' 35' ' ' VAL . 30.5 mt-30 -146.95 135.63 22.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -68.78 103.74 1.85 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.492 ' CG1' ' HB3' ' A' ' 46' ' ' PHE . 23.5 t -125.06 124.01 66.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.68 ' CE1' ' HB2' ' A' ' 50' ' ' ALA . 57.3 t80 -72.68 111.76 8.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.814 ' SG ' HD11 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -76.82 131.44 38.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 108.327 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.449 HG23 ' CD2' ' A' ' 36' ' ' TYR . 19.0 t -128.88 105.01 12.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 1.082 HD22 HG12 ' A' ' 111' ' ' VAL . 0.7 OUTLIER -101.32 144.07 30.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 0.0 109.276 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.454 ' HA ' ' CG ' ' A' ' 9' ' ' GLN . 1.5 tpt180 -137.83 -149.04 0.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.315 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 65.7 mtt85 -65.86 71.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 110.306 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 40' ' ' ARG . . . 74.8 55.38 5.4 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.45 ' O ' ' HA ' ' A' ' 39' ' ' LEU . 55.6 p -160.45 165.96 30.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 0.786 . . . . 0.0 110.012 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.814 HD11 ' SG ' ' A' ' 37' ' ' CYS . 46.9 tp -150.42 99.7 2.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -98.21 150.95 19.53 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.483 1.114 . . . . 0.0 111.048 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.59 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 64.2 m-85 -109.22 143.11 39.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 0.786 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.59 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 28.1 m-85 -149.89 156.07 41.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.991 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.5 ttpt -48.64 -63.99 0.93 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.482 ' H ' ' HB3' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -147.18 -176.46 5.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.324 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.68 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . . . -65.44 -18.52 65.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.3 mmmt -83.93 -17.75 39.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.425 1.078 . . . . 0.0 109.307 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.482 ' HB3' ' H ' ' A' ' 49' ' ' ASP . . . -96.55 -15.0 21.86 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.423 1.077 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -85.55 -46.21 11.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.18 -38.82 90.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.996 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.12 -19.37 58.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.123 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 79.31 35.81 28.79 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.438 1.086 . . . . 0.0 111.016 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.403 ' N ' ' O ' ' A' ' 52' ' ' ALA . 39.8 t -103.44 119.37 55.16 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.472 0.748 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 134.93 18.39 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.484 1.781 . . . . 0.0 110.937 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -47.22 -65.49 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 111.011 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.7 m170 -122.5 45.19 2.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.589 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 53.68 19.2 9.25 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.47 1.107 . . . . 0.0 110.964 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -75.25 159.84 31.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 0.735 . . . . 0.0 110.265 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -104.73 168.6 8.24 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 152.91 41.47 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.518 1.799 . . . . 0.0 110.965 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.441 ' HB ' ' CD1' ' A' ' 89' ' ' LEU . 27.2 m -101.19 124.42 54.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.67 127.28 32.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 110.01 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.673 HD11 HD12 ' A' ' 39' ' ' LEU . 12.8 mt -88.04 43.38 1.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.512 ' HB3' HE21 ' A' ' 90' ' ' GLN . . . -84.43 115.39 22.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 63.58 21.32 12.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -84.61 172.11 11.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -145.19 137.6 25.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -123.64 122.32 4.84 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.466 1.104 . . . . 0.0 110.96 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.83 158.3 44.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 0.783 . . . . 0.0 110.022 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.686 HG22 ' CE ' ' A' ' 105' ' ' MET . 45.2 t -73.74 155.07 6.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' A' ' 84' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.541 ' O ' ' CG ' ' A' ' 83' ' ' HIS . 6.8 mtpt . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.584 ' CE1' ' NE2' ' A' ' 98' ' ' GLN . 15.7 p80 49.51 61.91 2.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.575 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.773 HG22 ' HG3' ' A' ' 98' ' ' GLN . 60.0 t -131.25 117.77 37.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.602 ' CZ ' ' HB2' ' A' ' 97' ' ' PHE . 11.4 p90 -125.37 139.41 53.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.562 1.164 . . . . 0.0 111.005 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.2 ttmt -88.35 143.78 26.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.102 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.574 HD13 HG11 ' A' ' 112' ' ' VAL . 56.5 tp -126.11 99.44 5.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -95.52 114.56 4.91 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.498 1.124 . . . . 0.0 111.016 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.441 ' CD1' ' HB ' ' A' ' 65' ' ' VAL . 5.2 mt -74.41 -175.99 2.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 0.792 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.512 HE21 ' HB3' ' A' ' 68' ' ' ALA . 10.3 pt20 -88.5 -9.84 51.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 110.322 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -101.99 26.33 7.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 63.09 31.09 79.54 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.531 1.144 . . . . 0.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.85 108.7 20.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 0.756 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -102.6 140.96 36.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.16 . . . . 0.0 110.283 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.507 ' HB3' ' CE2' ' A' ' 97' ' ' PHE . 56.1 m-85 -136.52 149.89 48.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.464 1.102 . . . . 0.0 111.036 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.408 ' O ' ' O ' ' A' ' 15' ' ' CYS . 59.6 mt -121.12 111.98 18.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.342 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.897 ' HB3' HD23 ' A' ' 14' ' ' LEU . 95.8 m-85 -113.14 140.77 47.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.773 ' HG3' HG22 ' A' ' 84' ' ' VAL . 2.6 tt0 -115.46 114.07 24.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.298 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.651 ' HA ' HD11 ' A' ' 14' ' ' LEU . . . -76.67 -132.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -124.08 -41.68 2.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -150.08 -173.93 4.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -67.02 -9.05 34.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 110.337 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 104' ' ' GLU . . . -89.19 -71.66 0.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.554 ' HB3' ' HB1' ' A' ' 99' ' ' ALA . 2.0 tp10 -37.69 -44.27 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 110.307 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.686 ' CE ' HG22 ' A' ' 74' ' ' VAL . 5.2 ttp -68.15 -61.64 1.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 111.011 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.17 -39.44 0.92 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 110.005 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.799 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.3 OUTLIER -66.86 -50.81 61.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 110.008 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.574 ' CD1' ' HE1' ' A' ' 10' ' ' MET . 19.3 m95 -44.04 -62.15 1.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.574 HD21 ' CG ' ' A' ' 85' ' ' PHE . 0.4 OUTLIER -45.62 -51.59 11.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 24.7 ttp85 -55.55 -32.6 63.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 1.082 HG12 HD22 ' A' ' 39' ' ' LEU . 20.3 t -80.94 -55.69 7.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.574 HG11 HD13 ' A' ' 87' ' ' LEU . 90.7 t -50.75 -39.36 18.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -71.86 -37.27 70.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -71.71 -16.01 62.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.715 ' HB2' HD21 ' A' ' 39' ' ' LEU . . . -91.4 -42.58 10.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 32.7 mt -55.65 -59.31 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.295 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 118' ' ' SER . . . -50.65 -58.65 5.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 117' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.985 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.4 ' HA ' HD23 ' A' ' 39' ' ' LEU . 44.5 mt-30 -105.62 147.11 28.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.16 . . . . 0.0 110.265 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.711 ' HB2' HG11 ' A' ' 111' ' ' VAL . 7.1 ttt -146.48 131.46 18.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 111.048 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.435 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 7.0 pt-20 -144.82 131.44 19.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.301 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -172.51 163.29 35.3 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.418 1.074 . . . . 0.0 111.041 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.662 ' O ' HD12 ' A' ' 14' ' ' LEU . 1.0 OUTLIER -66.46 116.55 7.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 0.789 . . . . 0.0 110.955 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.662 HD12 ' O ' ' A' ' 13' ' ' MET . 2.0 mp -134.97 152.41 51.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -91.53 96.47 10.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 108.273 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.575 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 16.7 ttp180 -88.11 119.48 28.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.334 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.439 ' O ' ' OE2' ' A' ' 19' ' ' GLU . 2.3 tttt -124.34 97.3 5.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.456 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 21.5 tt0 -61.59 123.58 18.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.477 ' OE2' ' N ' ' A' ' 96' ' ' LEU . 1.1 mp0 -106.6 -51.98 2.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.403 ' SD ' ' OE1' ' A' ' 94' ' ' GLU . 11.9 mtp -120.9 154.88 35.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.483 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 11.4 tt0 -113.43 -11.62 13.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.148 . . . . 0.0 110.294 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.483 ' HB2' ' O ' ' A' ' 21' ' ' GLU . . . 176.09 173.52 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -47.88 114.5 0.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 60.82 18.41 53.22 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.409 ' CG ' ' HB3' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -101.8 118.31 36.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 0.742 . . . . 0.0 109.339 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.5 pttm -85.9 124.39 32.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.266 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.456 ' CB ' ' HG2' ' A' ' 18' ' ' GLN . . . -67.8 145.2 54.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.22 -77.78 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.0 p-10 -94.77 126.98 40.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.3 mtm180 -130.72 61.72 1.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.66 158.3 18.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 110.018 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 86.4 m95 -80.47 126.93 31.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 108.006 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.415 ' O ' HG23 ' A' ' 35' ' ' VAL . 43.0 mt-30 -146.95 140.37 25.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.304 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.1 p-10 -70.39 103.96 2.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.456 ' CG1' ' HB3' ' A' ' 46' ' ' PHE . 26.0 t -120.7 126.14 74.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.123 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.442 ' HD2' ' HB2' ' A' ' 53' ' ' ALA . 10.0 t80 -72.65 106.45 4.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 111.031 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.62 ' SG ' ' CE1' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -77.66 128.42 34.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 108.285 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 64.3 t -125.75 104.93 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.87 ' CD2' HG12 ' A' ' 111' ' ' VAL . 0.6 OUTLIER -100.98 139.63 36.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.271 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 42' ' ' GLY . 2.3 tpt180 -134.97 -148.44 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 110.271 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.99 71.5 0.06 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 40' ' ' ARG . . . 74.19 56.07 5.4 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.483 1.114 . . . . 0.0 110.966 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.436 ' O ' ' HA ' ' A' ' 39' ' ' LEU . 59.3 p -160.31 166.54 29.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 0.768 . . . . 0.0 110.004 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.606 HD11 ' SG ' ' A' ' 37' ' ' CYS . 40.9 tp -150.23 98.82 2.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -97.92 146.03 18.04 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.522 1.139 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.589 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 65.4 m-85 -108.83 141.21 41.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 0.79 . . . . 0.0 110.952 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.589 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 21.5 m-85 -149.55 152.77 36.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.976 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.512 ' O ' ' HE1' ' A' ' 13' ' ' MET . 8.0 tptm -44.56 -62.39 1.21 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.483 ' HA ' ' HE3' ' A' ' 13' ' ' MET . 1.4 m-20 -155.98 -175.68 5.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.77 -13.52 34.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.6 mmmt -79.38 -38.69 34.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.12 -55.29 5.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.489 ' HA ' ' CD2' ' A' ' 47' ' ' TYR . . . -48.45 -42.14 31.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.3 t -59.46 -46.79 87.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.036 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -80.66 2.07 27.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 109.343 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 62.75 40.82 99.68 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 81.5 t -106.41 121.12 46.37 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.505 0.768 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 133.11 16.2 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.533 1.807 . . . . 0.0 110.965 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.441 ' CD2' ' CD2' ' A' ' 60' ' ' HIS . 25.7 t80 -47.08 -67.43 0.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.441 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 15.6 m170 -117.22 47.59 1.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.607 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 48.72 23.72 3.6 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.538 1.148 . . . . 0.0 111.019 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -81.16 159.41 24.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 0.74 . . . . 0.0 110.309 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.406 ' HB ' ' HD2' ' A' ' 64' ' ' PRO . 0.0 OUTLIER -105.13 168.9 7.73 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.406 ' HD2' ' HB ' ' A' ' 63' ' ' VAL . 18.3 Cg_endo -74.98 150.94 38.99 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.466 1.772 . . . . 0.0 111.022 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.435 ' CG2' ' HB3' ' A' ' 44' ' ' LEU . 27.2 m -99.78 124.89 53.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.277 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 58.3 m -73.47 127.39 32.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.969 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.612 HD11 HD12 ' A' ' 39' ' ' LEU . 9.3 mt -88.39 45.44 1.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -85.98 109.09 18.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.5 mtm180 69.87 19.39 7.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.423 ' HB3' HG12 ' A' ' 116' ' ' ILE . . . -81.21 175.71 10.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -149.99 135.0 17.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 110.321 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -119.63 126.8 6.88 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 110.951 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.79 159.78 40.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 0.748 . . . . 0.0 109.997 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.676 HG22 ' CE ' ' A' ' 105' ' ' MET . 37.7 t -79.43 151.38 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' A' ' 84' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.533 ' O ' ' CG ' ' A' ' 83' ' ' HIS . 8.8 mttp . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.607 ' CE1' ' HG2' ' A' ' 98' ' ' GLN . 13.7 p80 49.36 63.8 2.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.607 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.8 HG22 ' HG3' ' A' ' 98' ' ' GLN . 62.8 t -130.57 117.29 38.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.601 ' CZ ' ' HB2' ' A' ' 97' ' ' PHE . 11.8 p90 -124.59 134.21 53.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 111.024 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.405 ' HA ' ' O ' ' A' ' 95' ' ' TYR . 33.5 ttmt -87.28 140.38 29.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.51 HD13 HG11 ' A' ' 112' ' ' VAL . 45.7 tp -122.59 101.06 7.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -99.33 114.21 4.96 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.4 ' CD1' ' HB ' ' A' ' 65' ' ' VAL . 7.4 mt -75.18 171.93 13.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 0.785 . . . . 0.0 109.359 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -75.96 -14.6 60.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 110.281 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.98 16.6 9.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.349 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 69.17 32.88 72.94 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.46 1.1 . . . . 0.0 111.026 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.411 ' NZ ' ' HB2' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -102.66 110.46 22.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 0.754 . . . . 0.0 109.327 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.403 ' OE1' ' SD ' ' A' ' 20' ' ' MET . 0.7 OUTLIER -100.43 136.89 39.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.318 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.408 ' C ' ' OE2' ' A' ' 19' ' ' GLU . 52.3 m-85 -133.84 154.21 51.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 111.016 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.477 ' N ' ' OE2' ' A' ' 19' ' ' GLU . 47.3 mt -125.5 121.26 33.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.252 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.654 ' HB3' HD23 ' A' ' 14' ' ' LEU . 77.7 m-85 -121.2 150.22 41.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.115 . . . . 0.0 110.954 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.8 ' HG3' HG22 ' A' ' 84' ' ' VAL . 6.3 tt0 -127.91 108.88 11.07 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.46 1.1 . . . . 0.0 110.295 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.603 ' HA ' HD11 ' A' ' 14' ' ' LEU . . . -74.47 -132.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.13 -42.53 2.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.332 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -148.59 -175.49 4.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 109.301 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -65.84 -10.14 35.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.145 . . . . 0.0 110.326 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 104' ' ' GLU . . . -87.55 -71.67 0.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.56 ' HB3' ' HB1' ' A' ' 99' ' ' ALA . 6.5 tp10 -38.45 -42.97 0.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.103 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.676 ' CE ' HG22 ' A' ' 74' ' ' VAL . 5.8 ttp -69.58 -61.06 1.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 111.015 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.1 m -40.64 -39.89 1.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 110.007 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.852 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.3 OUTLIER -65.15 -51.51 60.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.023 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.525 ' CE2' ' HG2' ' A' ' 10' ' ' MET . 26.1 m95 -43.73 -64.54 0.64 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 108.003 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.578 HD21 ' CG ' ' A' ' 85' ' ' PHE . 0.5 OUTLIER -44.57 -51.89 8.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.257 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.403 ' HB3' ' O ' ' A' ' 107' ' ' SER . 32.1 ttp180 -54.56 -33.0 59.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.87 HG12 ' CD2' ' A' ' 39' ' ' LEU . 16.1 t -81.17 -57.58 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.51 HG11 HD13 ' A' ' 87' ' ' LEU . 93.7 t -48.54 -40.38 10.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -71.41 -36.11 71.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -73.06 -16.29 61.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.343 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.478 ' HB2' HD21 ' A' ' 39' ' ' LEU . . . -92.01 -44.35 8.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.423 HG12 ' HB3' ' A' ' 70' ' ' ALA . 40.4 mt -53.66 -60.14 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -49.48 -60.54 2.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 109.966 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.698 ' HA ' HD23 ' A' ' 39' ' ' LEU . 5.1 pm0 -104.61 144.74 31.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.639 ' HB2' HG11 ' A' ' 111' ' ' VAL . 9.0 ttt -143.32 134.56 25.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.482 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 1.3 pm0 -144.54 124.37 13.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 110.323 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -168.94 161.24 34.91 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.514 1.134 . . . . 0.0 111.011 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.73 ' O ' HD12 ' A' ' 14' ' ' LEU . 1.9 mmt -58.99 126.18 26.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 0.721 . . . . 0.0 111.039 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.908 HD23 ' HB3' ' A' ' 97' ' ' PHE . 1.4 mp -146.48 154.86 42.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.157 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.436 ' O ' ' HA ' ' A' ' 97' ' ' PHE . 0.5 OUTLIER -96.88 95.69 8.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 108.343 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.565 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 12.2 ttp180 -87.78 123.69 32.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.512 ' HD2' ' CE2' ' A' ' 32' ' ' TRP . 21.5 tttt -124.57 94.95 4.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.705 ' HG2' ' HB1' ' A' ' 27' ' ' ALA . 2.0 tp60 -60.08 122.54 14.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 110.32 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -107.06 -48.86 3.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.239 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.456 ' CE ' ' O ' ' A' ' 25' ' ' LYS . 90.2 mmm -130.53 140.65 50.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 111.054 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.566 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 6.9 tt0 -107.78 -9.57 15.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.566 ' HB2' ' O ' ' A' ' 21' ' ' GLU . . . 172.09 153.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.343 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.549 ' CZ ' ' HB3' ' A' ' 91' ' ' ASP . 84.0 m-85 -39.65 115.45 0.52 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.19 -43.54 3.26 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.551 1.157 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.479 ' CE ' ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -60.11 119.99 8.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 0.797 . . . . 0.0 109.319 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.479 ' O ' ' CE ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -92.5 139.51 30.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.327 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.705 ' HB1' ' HG2' ' A' ' 18' ' ' GLN . . . -64.33 115.09 4.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.62 -67.56 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -92.28 107.56 19.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -107.86 54.8 0.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.32 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.58 163.99 17.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 110.025 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.512 ' CE2' ' HD2' ' A' ' 17' ' ' LYS . 86.9 m95 -85.68 132.99 34.05 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.505 ' O ' HG23 ' A' ' 35' ' ' VAL . 82.1 mm-40 -147.42 134.51 20.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.241 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -66.48 103.79 1.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 33' ' ' GLN . 25.7 t -126.17 123.98 64.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 0.0 109.29 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.419 ' CD2' HG23 ' A' ' 38' ' ' VAL . 53.0 t80 -71.32 114.88 9.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 111.02 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.762 ' SG ' HD11 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -80.3 130.84 35.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 108.326 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.419 HG23 ' CD2' ' A' ' 36' ' ' TYR . 31.8 t -128.27 104.74 12.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.349 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.981 HD22 HG12 ' A' ' 111' ' ' VAL . 0.8 OUTLIER -101.1 144.12 30.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 42' ' ' GLY . 4.0 tpt180 -136.65 -148.04 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.339 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.67 69.09 0.07 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.503 1.127 . . . . 0.0 110.273 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 40' ' ' ARG . . . 77.28 56.2 4.06 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.436 ' O ' ' HA ' ' A' ' 39' ' ' LEU . 54.0 p -160.17 167.01 28.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 0.764 . . . . 0.0 110.011 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.762 HD11 ' SG ' ' A' ' 37' ' ' CYS . 52.3 tp -150.1 99.36 2.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -98.32 151.76 19.66 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.504 1.128 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.616 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 61.4 m-85 -109.93 141.67 42.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.753 . . . . 0.0 110.976 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.616 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 19.7 m-85 -149.37 157.85 43.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.538 ' O ' ' HE3' ' A' ' 13' ' ' MET . 0.1 OUTLIER -50.2 -67.05 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.416 ' HA ' ' HE2' ' A' ' 13' ' ' MET . 1.4 m-20 -151.28 -175.75 5.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.95 -13.88 29.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.279 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.57 -35.82 45.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -81.81 -42.19 20.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.98 -37.02 71.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.3 t -71.43 -37.75 71.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.013 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.526 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -88.86 12.54 14.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 47.48 40.38 16.26 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 55' ' ' ALA . 95.9 t -104.51 120.71 49.62 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.53 0.782 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 134.75 18.32 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.485 1.781 . . . . 0.0 111.012 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -48.17 -66.7 0.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 13.2 m170 -119.24 46.27 1.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.588 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 48.85 30.41 9.07 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.517 1.136 . . . . 0.0 111.024 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -87.19 162.74 17.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 110.25 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -105.77 168.53 8.13 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.45 1.094 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 149.36 36.87 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.549 1.815 . . . . 0.0 111.053 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.41 HG22 ' O ' ' A' ' 44' ' ' LEU . 34.3 m -97.24 129.35 47.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.73 124.67 27.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.023 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.754 HD11 HD12 ' A' ' 39' ' ' LEU . 11.7 mt -84.14 49.9 1.74 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.418 ' HB1' ' HD2' ' A' ' 69' ' ' ARG . . . -83.89 118.99 24.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.132 . . . . 0.0 109.253 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.418 ' HD2' ' HB1' ' A' ' 68' ' ' ALA . 0.2 OUTLIER 61.81 14.96 6.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.447 ' O ' HD13 ' A' ' 116' ' ' ILE . . . -78.93 167.87 20.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.54 146.69 26.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 0.0 110.335 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.451 ' C ' ' CD1' ' A' ' 109' ' ' LEU . . . -116.47 123.38 5.83 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.9 t -138.0 152.47 48.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.469 0.747 . . . . 0.0 110.037 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.87 HG22 ' HE3' ' A' ' 105' ' ' MET . 58.7 t -73.88 141.52 16.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.34 -179.995 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 19.5 mttp . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.44 ' HA ' ' SD ' ' A' ' 105' ' ' MET . 0.0 OUTLIER 46.06 78.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.597 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.424 HG22 ' CB ' ' A' ' 98' ' ' GLN . 84.0 t -136.0 128.98 46.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.706 ' CG ' HD21 ' A' ' 109' ' ' LEU . 39.9 p90 -121.55 138.97 54.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.994 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.524 ' HA ' HD23 ' A' ' 96' ' ' LEU . 0.1 OUTLIER -86.46 118.13 25.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.508 HD13 HG11 ' A' ' 112' ' ' VAL . 29.2 tp -94.39 98.26 10.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -94.68 114.34 4.8 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.457 1.098 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.693 HD12 ' HD2' ' A' ' 93' ' ' LYS . 5.8 mt -70.79 -119.61 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 0.74 . . . . 0.0 109.283 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.581 ' O ' ' CB ' ' A' ' 91' ' ' ASP . 0.4 OUTLIER -83.82 20.7 1.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.337 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.581 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 25.7 t0 89.03 -25.26 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.466 ' O ' ' CA ' ' A' ' 22' ' ' ALA . . . -88.03 -16.95 58.64 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.693 ' HD2' HD12 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -124.89 120.21 31.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 0.737 . . . . 0.0 109.315 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -127.53 144.39 51.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.462 ' HB3' ' CE2' ' A' ' 97' ' ' PHE . 79.4 m-85 -140.87 162.93 34.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.524 HD23 ' HA ' ' A' ' 86' ' ' LYS . 72.0 mt -132.48 112.01 11.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.908 ' HB3' HD23 ' A' ' 14' ' ' LEU . 92.7 m-85 -115.17 134.59 55.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.976 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.424 ' CB ' HG22 ' A' ' 84' ' ' VAL . 7.9 tt0 -106.12 106.41 16.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 110.344 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.701 ' HA ' HD11 ' A' ' 14' ' ' LEU . . . -70.29 159.77 33.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.42 ' CG ' ' N ' ' A' ' 101' ' ' ASP . 0.0 OUTLIER -58.67 -47.08 85.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.42 ' N ' ' CG ' ' A' ' 100' ' ' LYS . 1.3 m-20 -156.23 -175.91 5.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.343 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -51.81 -31.05 25.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.346 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.33 -71.2 0.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.566 ' HG3' ' CD1' ' A' ' 108' ' ' TRP . 1.6 tt0 -46.99 -43.37 19.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.282 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.87 ' HE3' HG22 ' A' ' 74' ' ' VAL . 5.0 ttp -62.04 -69.65 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.959 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.3 t -43.01 -49.51 6.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.969 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.888 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.3 OUTLIER -58.37 -55.83 29.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.993 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.566 ' CD1' ' HG3' ' A' ' 104' ' ' GLU . 19.5 m95 -43.91 -66.84 0.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 107.983 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.706 HD21 ' CG ' ' A' ' 85' ' ' PHE . 3.9 mm? -43.95 -50.55 8.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.346 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 -57.27 -41.97 80.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 0.0 110.306 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.981 HG12 HD22 ' A' ' 39' ' ' LEU . 17.8 t -71.62 -60.71 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.508 HG11 HD13 ' A' ' 87' ' ' LEU . 77.2 t -43.84 -41.15 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -70.74 -38.4 73.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 111' ' ' VAL . . . -69.59 -20.45 63.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.785 ' HB2' HD21 ' A' ' 39' ' ' LEU . . . -86.67 -47.58 9.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.447 HD13 ' O ' ' A' ' 70' ' ' ALA . 20.3 mt -45.04 -61.82 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 116' ' ' ILE . . . -40.08 -59.35 1.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.988 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.283 -0.265 . . . . 0.0 110.283 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.493 ' HA ' HD23 ' A' ' 39' ' ' LEU . 0.5 OUTLIER -103.59 155.38 18.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.298 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.58 ' CB ' HG11 ' A' ' 111' ' ' VAL . 7.3 ttt -157.09 127.89 6.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.461 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 11.6 pt-20 -143.06 123.25 13.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.305 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.21 160.01 33.55 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.457 1.098 . . . . 0.0 111.048 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.732 ' O ' HD12 ' A' ' 14' ' ' LEU . 2.3 mmt -58.65 125.02 21.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 0.766 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.773 HD23 ' HB3' ' A' ' 97' ' ' PHE . 1.4 mp -146.87 150.65 35.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.265 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.437 ' O ' ' HA ' ' A' ' 97' ' ' PHE . 0.3 OUTLIER -93.67 96.32 9.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 108.319 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.56 ' HG3' ' CZ ' ' A' ' 97' ' ' PHE . 6.6 ttp180 -87.78 114.88 24.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 110.318 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.506 ' HD2' ' CE2' ' A' ' 32' ' ' TRP . 8.5 tttm -124.4 105.54 9.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.724 ' CD ' ' HB2' ' A' ' 27' ' ' ALA . 0.9 OUTLIER -58.53 147.76 30.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.289 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.45 ' N ' ' OE1' ' A' ' 18' ' ' GLN . 1.6 mm-40 -121.94 -46.96 2.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.256 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.43 ' N ' ' OE1' ' A' ' 18' ' ' GLN . 24.1 mtp -137.99 144.91 41.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.102 . . . . 0.0 110.985 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.467 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 10.8 tt0 -98.88 -11.5 21.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.275 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.467 ' HB2' ' O ' ' A' ' 21' ' ' GLU . . . 176.61 169.71 0.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -47.19 112.7 0.56 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.987 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.43 28.57 73.8 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.522 1.139 . . . . 0.0 110.963 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.51 ' CE ' ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -128.57 132.15 48.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 0.796 . . . . 0.0 109.287 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.51 ' O ' ' CE ' ' A' ' 25' ' ' LYS . 15.9 pttt -106.96 146.84 30.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.724 ' HB2' ' CD ' ' A' ' 18' ' ' GLN . . . -69.98 127.28 32.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.55 -76.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -110.24 95.96 5.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.594 ' CD ' ' HB3' ' A' ' 27' ' ' ALA . 0.5 OUTLIER -122.54 95.88 4.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.304 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.3 m -119.34 165.05 14.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.997 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.506 ' CE2' ' HD2' ' A' ' 17' ' ' LYS . 90.8 m95 -68.06 119.93 13.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 108.009 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.558 ' O ' HG23 ' A' ' 35' ' ' VAL . 31.3 mt-30 -142.61 131.1 22.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -64.34 103.38 0.63 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 33' ' ' GLN . 41.0 t -124.04 122.85 65.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.524 ' CE1' ' HB2' ' A' ' 50' ' ' ALA . 57.7 t80 -72.28 111.05 7.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 111.022 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.707 ' SG ' HD11 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -74.07 132.27 42.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 108.312 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 55.9 t -130.54 105.87 12.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.35 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 1.111 HD22 HG12 ' A' ' 111' ' ' VAL . 0.6 OUTLIER -99.71 139.56 35.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 178.08 137.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.266 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 67.88 7.92 6.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 110.312 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.725 ' HA2' ' HB1' ' A' ' 115' ' ' ALA . . . 87.78 27.88 25.42 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 17.4 p -134.29 134.61 42.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 0.761 . . . . 0.0 109.998 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.707 HD11 ' SG ' ' A' ' 37' ' ' CYS . 33.5 tp -96.55 112.71 24.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.259 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -103.27 143.07 15.67 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.46 1.1 . . . . 0.0 111.032 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.541 ' HB3' HG11 ' A' ' 35' ' ' VAL . 35.1 m-85 -104.8 139.97 38.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.771 . . . . 0.0 110.949 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.512 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 46.7 m-85 -148.35 168.65 22.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 111.04 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.8 ttpp -64.81 -58.84 5.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.568 ' H ' ' HB3' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -150.59 -178.36 6.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.318 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.524 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . . . -63.4 -16.4 60.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.5 mmtt -87.51 -18.9 28.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.568 ' HB3' ' H ' ' A' ' 49' ' ' ASP . . . -95.11 -15.53 23.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 109.258 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.506 ' HA ' ' CD2' ' A' ' 47' ' ' TYR . . . -83.24 -46.8 12.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.5 t -67.8 -39.83 83.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.997 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.32 -10.84 60.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.96 26.88 71.56 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 52' ' ' ALA . 58.1 t -94.34 113.8 61.75 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 139.04 23.87 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.477 1.777 . . . . 0.0 111.045 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -48.17 -64.96 0.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -125.46 40.39 3.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.148 . . . . 0.0 109.556 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 58.38 16.35 27.8 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.512 1.132 . . . . 0.0 111.004 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -79.88 135.27 36.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 0.747 . . . . 0.0 110.279 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.408 HG13 ' H ' ' A' ' 63' ' ' VAL . 0.8 OUTLIER -77.24 168.9 24.14 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 143.35 28.95 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.498 1.788 . . . . 0.0 110.977 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 16.9 m -88.09 123.62 40.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.366 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.0 p -66.79 128.79 37.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.1 . . . . 0.0 109.995 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.619 HD11 HD12 ' A' ' 39' ' ' LEU . 9.0 mt -93.2 28.67 2.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -78.58 113.93 17.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.5 mtm180 69.18 18.4 8.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.297 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -79.38 171.54 15.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.45 ' O ' HD12 ' A' ' 87' ' ' LEU . 2.6 mm-40 -129.76 129.19 43.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.268 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -118.26 112.39 2.38 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.111 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.21 160.18 39.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 110.004 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.475 ' HA ' ' CB ' ' A' ' 85' ' ' PHE . 0.9 OUTLIER -84.83 163.69 2.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.969 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.551 ' CD2' ' HA ' ' A' ' 101' ' ' ASP . 0.1 OUTLIER 50.43 66.16 1.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.578 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.431 ' CG2' ' HG3' ' A' ' 98' ' ' GLN . 70.9 t -131.04 121.61 49.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.598 ' CG ' HD21 ' A' ' 109' ' ' LEU . 14.8 p90 -119.71 151.21 39.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 111.009 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.5 ttmt -98.55 137.57 37.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.45 HD12 ' O ' ' A' ' 71' ' ' GLN . 47.3 tp -119.87 103.61 9.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -99.92 114.97 5.18 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.476 1.11 . . . . 0.0 110.976 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 8.0 mt -75.96 170.55 16.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 0.775 . . . . 0.0 109.257 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -75.64 -14.99 60.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.269 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -91.32 21.28 4.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 64.82 34.31 89.55 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.542 1.151 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 20' ' ' MET . 0.0 OUTLIER -105.49 113.46 27.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 0.742 . . . . 0.0 109.286 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -103.58 132.62 49.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.52 ' CE1' ' HG2' ' A' ' 18' ' ' GLN . 46.0 m-85 -129.16 158.54 38.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 96' ' ' LEU . 17.0 mt -125.16 121.7 34.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.773 ' HB3' HD23 ' A' ' 14' ' ' LEU . 98.1 m-85 -124.0 130.19 52.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 111.017 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.431 ' HG3' ' CG2' ' A' ' 84' ' ' VAL . 33.4 tt0 -104.16 119.81 39.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.539 ' HA ' HD11 ' A' ' 14' ' ' LEU . . . -83.88 170.9 13.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.401 ' O ' ' CG ' ' A' ' 101' ' ' ASP . 0.1 OUTLIER -75.97 -23.66 55.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.108 . . . . 0.0 109.291 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.551 ' HA ' ' CD2' ' A' ' 83' ' ' HIS . 61.0 m-20 -168.29 -175.92 2.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.253 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -63.22 -29.72 71.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.291 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.95 -66.87 0.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.511 ' HB3' ' HB1' ' A' ' 99' ' ' ALA . 0.4 OUTLIER -38.76 -47.53 1.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.553 ' SD ' ' N ' ' A' ' 106' ' ' SER . 3.1 tmm? -62.55 -69.62 0.25 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.553 ' N ' ' SD ' ' A' ' 105' ' ' MET . 1.3 t -35.37 -47.25 0.42 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.999 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.889 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.4 OUTLIER -57.95 -52.38 65.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.016 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.57 ' CH2' ' HB3' ' A' ' 37' ' ' CYS . 33.4 m95 -47.52 -66.13 0.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 108.028 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.598 HD21 ' CG ' ' A' ' 85' ' ' PHE . 1.2 mm? -42.85 -48.78 5.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 15.3 ttt85 -59.17 -38.0 78.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 110.29 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 1.111 HG12 HD22 ' A' ' 39' ' ' LEU . 21.7 t -76.63 -59.88 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.47 ' N ' ' O ' ' A' ' 108' ' ' TRP . 83.5 t -46.42 -36.58 2.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . 0.406 ' ND2' ' O ' ' A' ' 109' ' ' LEU . 14.1 m-80 -71.84 -37.75 70.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 111' ' ' VAL . . . -68.12 -16.48 64.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.725 ' HB1' ' HA2' ' A' ' 42' ' ' GLY . . . -92.98 -38.87 11.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 67.9 mt -63.35 -56.24 18.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 109.352 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -52.5 -47.05 66.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.026 -179.992 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.746 ' HA ' HD23 ' A' ' 39' ' ' LEU . 2.2 pm0 -122.58 146.75 47.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.661 ' HB2' HG11 ' A' ' 111' ' ' VAL . 7.9 ttt -146.81 129.57 16.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 110.96 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.478 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 7.7 pt-20 -138.64 126.58 22.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.59 153.62 22.1 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.495 1.122 . . . . 0.0 110.962 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.639 ' O ' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -58.69 123.22 15.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 0.782 . . . . 0.0 110.959 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.639 HD12 ' O ' ' A' ' 13' ' ' MET . 1.2 mp -141.25 157.55 45.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -96.43 96.3 8.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.128 . . . . 0.0 108.254 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.529 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 8.8 ttp180 -88.63 121.18 30.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.508 ' HD2' ' CE2' ' A' ' 32' ' ' TRP . 16.5 tttt -124.86 98.3 5.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.721 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 38.7 tt0 -60.34 109.04 0.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.287 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -90.41 -46.48 8.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.27 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.467 ' CE ' ' O ' ' A' ' 25' ' ' LYS . 5.2 mtp -126.98 143.11 51.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.518 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 9.9 tt0 -104.04 -10.76 17.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.518 ' HB2' ' O ' ' A' ' 21' ' ' GLU . . . 174.84 171.84 0.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -48.4 113.83 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 110.979 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 65.54 17.83 64.97 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.454 1.096 . . . . 0.0 110.978 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.467 ' O ' ' CE ' ' A' ' 20' ' ' MET . 0.0 OUTLIER -109.21 127.58 54.35 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 0.78 . . . . 0.0 109.273 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.91 141.68 32.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.721 ' HB2' ' HG2' ' A' ' 18' ' ' GLN . . . -72.49 132.29 43.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.24 -68.05 0.21 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.258 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -57.43 -68.27 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.428 ' HA ' ' O ' ' A' ' 18' ' ' GLN . 5.5 ttt-85 51.47 47.66 24.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.47 147.81 44.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.035 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.508 ' CE2' ' HD2' ' A' ' 17' ' ' LYS . 81.3 m95 -68.59 125.59 26.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 108.002 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.463 ' O ' HG23 ' A' ' 35' ' ' VAL . 37.7 mt-30 -146.26 131.36 18.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.54 1.15 . . . . 0.0 110.265 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -66.29 103.75 1.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.475 ' CG1' ' HB3' ' A' ' 46' ' ' PHE . 46.3 t -123.9 124.59 69.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.702 ' CE1' ' HB2' ' A' ' 50' ' ' ALA . 21.8 t80 -69.49 114.82 8.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.862 ' SG ' HD11 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -80.75 126.59 31.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 108.316 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.436 HG23 ' HD2' ' A' ' 36' ' ' TYR . 6.3 t -124.6 103.99 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.948 HD22 HG12 ' A' ' 111' ' ' VAL . 1.2 tt -98.41 144.93 27.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.47 ' O ' ' N ' ' A' ' 42' ' ' GLY . 3.1 tpt180 -141.35 -146.41 0.19 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.12 66.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.329 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.786 ' HA2' ' HB1' ' A' ' 115' ' ' ALA . . . 73.28 50.15 13.31 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.483 1.115 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.6 m -160.35 122.28 3.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 0.75 . . . . 0.0 110.03 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.862 HD11 ' SG ' ' A' ' 37' ' ' CYS . 27.0 tp -105.69 105.61 15.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -99.55 150.59 19.16 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.498 1.124 . . . . 0.0 111.033 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.518 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 60.1 m-85 -109.47 138.52 45.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 0.748 . . . . 0.0 110.983 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.518 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 15.5 m-85 -142.55 157.23 44.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.996 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 10.3 tptt -48.65 -61.74 1.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.478 ' HA ' ' CE ' ' A' ' 13' ' ' MET . 0.6 OUTLIER -155.5 -173.06 4.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.702 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . . . -67.03 -10.54 50.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 36.4 mmtt -82.71 -23.29 34.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.504 ' HB1' ' O ' ' A' ' 57' ' ' VAL . . . -96.71 -31.02 12.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.34 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.6 -41.41 90.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.341 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.7 t -78.93 -25.08 43.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.944 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.848 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -91.29 11.86 22.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 45.42 27.8 2.03 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.466 1.104 . . . . 0.0 111.013 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.848 HG23 ' O ' ' A' ' 55' ' ' ALA . 45.9 t -99.92 121.6 53.58 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.521 0.777 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 147.68 34.33 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.487 1.782 . . . . 0.0 110.992 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -56.03 -67.17 0.32 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 110.966 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -120.73 45.63 2.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.103 . . . . 0.0 109.629 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 55.84 17.11 14.14 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.458 1.098 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -73.59 155.82 38.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 0.739 . . . . 0.0 110.349 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -102.89 168.46 8.79 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 147.72 34.31 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.499 1.789 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.551 HG22 ' O ' ' A' ' 44' ' ' LEU . 11.8 m -95.61 121.89 46.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 31.4 t -54.84 129.96 39.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.983 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.708 HD11 HD12 ' A' ' 39' ' ' LEU . 91.1 mt -99.94 50.22 0.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.663 ' O ' HG23 ' A' ' 116' ' ' ILE . . . -58.23 -116.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 70' ' ' ALA . 1.0 OUTLIER -83.0 14.82 3.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 110.28 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.486 ' O ' HG21 ' A' ' 116' ' ' ILE . . . -42.02 163.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.611 ' O ' HD12 ' A' ' 87' ' ' LEU . 14.0 pt20 -123.48 133.69 54.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -124.14 109.2 1.24 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.458 1.099 . . . . 0.0 111.024 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 70.5 m -137.11 155.78 49.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 0.767 . . . . 0.0 110.023 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.657 HG22 ' HE3' ' A' ' 105' ' ' MET . 55.9 t -64.84 155.98 6.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.254 -179.975 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.421 ' C ' ' CG ' ' A' ' 83' ' ' HIS . 34.4 mttt . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.511 ' CD2' ' HA ' ' A' ' 101' ' ' ASP . 0.1 OUTLIER 59.08 68.41 0.82 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.58 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.562 HG22 ' HG3' ' A' ' 98' ' ' GLN . 91.9 t -131.71 133.16 61.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.612 ' CZ ' ' HB2' ' A' ' 97' ' ' PHE . 6.0 p90 -129.65 142.64 50.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.977 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 17.7 ttmt -95.28 138.73 32.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.328 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.611 HD12 ' O ' ' A' ' 71' ' ' GLN . 38.6 tp -122.54 114.05 20.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -112.12 114.98 3.68 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.467 1.105 . . . . 0.0 110.959 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.404 ' N ' HD23 ' A' ' 89' ' ' LEU . 7.6 mt -73.71 -176.28 2.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -89.78 -8.61 51.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.275 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -97.09 15.87 21.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 72.34 30.84 64.2 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.514 1.134 . . . . 0.0 110.96 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.27 110.63 22.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 0.74 . . . . 0.0 109.363 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -106.16 130.48 54.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -126.78 149.25 49.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.455 HD23 ' HA ' ' A' ' 96' ' ' LEU . 15.7 mt -117.22 116.55 27.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.644 ' CE1' ' SG ' ' A' ' 37' ' ' CYS . 97.1 m-85 -118.13 140.7 49.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 111.048 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.562 ' HG3' HG22 ' A' ' 84' ' ' VAL . 25.2 tt0 -118.12 117.1 28.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.132 . . . . 0.0 110.331 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.504 ' HB1' ' HB3' ' A' ' 104' ' ' GLU . . . -82.43 170.14 15.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.271 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 10.7 pttt -68.45 -40.49 81.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.272 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.511 ' HA ' ' CD2' ' A' ' 83' ' ' HIS . 32.1 m-20 -148.44 -168.3 3.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.436 ' CG ' ' N ' ' A' ' 103' ' ' ALA . 2.7 pt-20 -67.58 -42.58 82.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.436 ' N ' ' CG ' ' A' ' 102' ' ' GLU . . . -56.32 -68.7 0.19 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.444 1.09 . . . . 0.0 109.279 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.504 ' HB3' ' HB1' ' A' ' 99' ' ' ALA . 3.6 tp10 -39.19 -43.36 1.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.657 ' HE3' HG22 ' A' ' 74' ' ' VAL . 20.8 ttp -66.26 -68.26 0.38 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -40.27 -40.68 1.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.97 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.902 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.3 OUTLIER -60.88 -56.44 21.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.973 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.547 ' CH2' ' HB3' ' A' ' 37' ' ' CYS . 37.9 m95 -42.3 -66.86 0.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 108.017 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.576 HD21 ' CG ' ' A' ' 85' ' ' PHE . 1.0 OUTLIER -41.12 -56.55 2.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 32.2 ttt-85 -50.88 -37.49 43.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.298 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.948 HG12 HD22 ' A' ' 39' ' ' LEU . 7.2 t -77.56 -60.3 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.487 HG11 HD13 ' A' ' 87' ' ' LEU . 85.6 t -45.19 -44.27 3.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.494 1.122 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -65.51 -39.03 91.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 111' ' ' VAL . . . -63.33 -19.97 65.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.786 ' HB1' ' HA2' ' A' ' 42' ' ' GLY . . . -89.71 -35.85 15.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.663 HG23 ' O ' ' A' ' 68' ' ' ALA . 22.0 mt -74.05 -41.54 52.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.51 -52.31 47.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.998 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -97.62 150.71 20.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.282 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.655 ' CB ' HG11 ' A' ' 111' ' ' VAL . 3.1 ttt -156.64 135.34 11.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 111.037 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.435 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 6.5 pt-20 -150.13 131.93 15.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.244 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -172.25 166.35 39.13 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.56 1.163 . . . . 0.0 110.99 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.535 ' O ' HD12 ' A' ' 14' ' ' LEU . 1.7 tpt -70.8 114.0 8.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 0.753 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.785 HD23 ' HB3' ' A' ' 97' ' ' PHE . 1.9 mp -130.81 155.41 46.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.434 ' O ' ' O ' ' A' ' 96' ' ' LEU . 0.1 OUTLIER -95.38 96.28 9.02 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.125 . . . . 0.0 108.279 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.582 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 7.8 ttp180 -89.15 119.15 29.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.123 . . . . 0.0 110.303 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.417 ' HD2' ' NE1' ' A' ' 32' ' ' TRP . 5.8 tttt -124.15 101.81 7.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.107 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.487 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 28.9 tt0 -63.29 109.8 1.69 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 110.331 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -85.0 -58.05 2.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.504 ' CE ' ' O ' ' A' ' 25' ' ' LYS . 88.0 mmm -120.54 153.28 36.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 111.032 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.52 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 6.1 tt0 -106.34 -11.72 15.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.52 ' HB2' ' O ' ' A' ' 21' ' ' GLU . . . 174.18 173.64 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -48.28 116.25 1.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 111.006 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 62.42 11.93 36.8 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.504 ' O ' ' CE ' ' A' ' 20' ' ' MET . 0.1 OUTLIER -99.58 131.94 45.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 0.754 . . . . 0.0 109.301 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.04 139.99 33.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.487 ' HB2' ' HG2' ' A' ' 18' ' ' GLN . . . -68.26 148.27 51.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.84 -76.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.89 -73.82 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.439 ' HG3' ' HB3' ' A' ' 27' ' ' ALA . 2.2 ttm105 76.43 44.34 0.13 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.585 1.178 . . . . 0.0 110.329 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.73 159.33 25.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.994 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.417 ' NE1' ' HD2' ' A' ' 17' ' ' LYS . 77.5 m95 -74.66 131.32 40.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 107.982 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.498 ' O ' HG23 ' A' ' 35' ' ' VAL . 56.8 mt-30 -147.64 119.55 8.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.329 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -60.62 103.57 0.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.582 HG11 ' HB3' ' A' ' 46' ' ' PHE . 95.9 t -120.97 126.91 75.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.5 ' CE1' ' HB2' ' A' ' 50' ' ' ALA . 7.3 t80 -69.06 115.29 8.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.579 ' HB3' ' CH2' ' A' ' 108' ' ' TRP . 0.8 OUTLIER -81.89 130.22 35.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 108.279 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 60.9 t -133.12 105.55 8.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 1.024 HD22 HG12 ' A' ' 111' ' ' VAL . 0.8 OUTLIER -98.76 139.19 34.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -167.74 142.67 3.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.294 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 49.58 25.72 1.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.301 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.552 ' HA2' ' HB1' ' A' ' 115' ' ' ALA . . . 73.41 48.21 19.38 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.536 1.148 . . . . 0.0 111.04 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 89.9 p -152.69 126.45 8.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 0.798 . . . . 0.0 109.994 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.439 HD11 ' SG ' ' A' ' 37' ' ' CYS . 30.7 tp -89.53 124.13 34.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -118.63 128.58 7.76 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.582 ' HB3' HG11 ' A' ' 35' ' ' VAL . 34.3 m-85 -92.08 134.76 34.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 0.75 . . . . 0.0 110.98 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.408 ' O ' ' C ' ' A' ' 48' ' ' LYS . 47.6 m-85 -137.69 145.38 42.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.529 ' HA ' ' CD2' ' A' ' 59' ' ' TYR . 23.9 ttpt -39.66 -57.44 1.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.55 ' H ' ' HB3' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -160.08 -178.59 7.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.5 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . . . -60.18 -22.44 62.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.108 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.2 mmtm -80.02 -17.11 53.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.55 ' HB3' ' H ' ' A' ' 49' ' ' ASP . . . -96.41 -26.44 15.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.92 -42.1 58.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 109.272 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.2 t -69.25 -26.59 64.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.956 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -91.9 -1.34 57.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 60.59 38.24 94.67 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.6 t -106.6 113.96 62.45 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.516 0.774 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 133.2 16.22 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.5 1.79 . . . . 0.0 110.963 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.529 ' CD2' ' HA ' ' A' ' 48' ' ' LYS . 0.3 OUTLIER -58.74 116.34 3.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 111.01 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.4 m170 53.41 20.57 2.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.559 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 64.61 41.02 97.98 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.481 1.113 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.423 ' O ' ' O ' ' A' ' 63' ' ' VAL . 52.8 mt-10 -91.58 92.96 8.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 0.733 . . . . 0.0 110.278 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.423 ' O ' ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -43.13 166.66 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 163.09 36.07 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.473 1.775 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.7 m -107.11 122.94 61.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.264 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.1 m -67.27 131.06 44.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.992 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.48 ' CD1' HD11 ' A' ' 39' ' ' LEU . 13.7 mt -95.59 29.44 2.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -79.0 107.39 11.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.9 mtm180 75.31 22.92 1.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 110.259 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.615 ' O ' HD13 ' A' ' 116' ' ' ILE . . . -92.26 152.47 19.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.275 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.498 ' O ' HD12 ' A' ' 87' ' ' LEU . 3.1 mm-40 -114.29 137.84 51.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -124.53 117.5 3.08 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.455 1.097 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 70.9 m -137.74 161.45 36.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 0.789 . . . . 0.0 109.98 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.472 ' HA ' ' CB ' ' A' ' 85' ' ' PHE . 0.9 OUTLIER -82.3 163.8 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.405 ' N ' ' HA ' ' A' ' 85' ' ' PHE . . . . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 109.251 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.418 ' C ' ' CG ' ' A' ' 83' ' ' HIS . 81.4 mttt . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.561 ' CE1' ' HA ' ' A' ' 101' ' ' ASP . 0.0 OUTLIER 48.43 73.14 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.632 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.535 HG22 ' HG3' ' A' ' 98' ' ' GLN . 44.3 t -131.01 143.09 41.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.736 ' CG ' HD21 ' A' ' 109' ' ' LEU . 15.2 p90 -139.49 148.08 42.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 111.026 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 28.1 ttmt -95.59 145.59 25.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.498 HD12 ' O ' ' A' ' 71' ' ' GLN . 35.3 tp -130.9 104.75 7.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -99.37 114.71 5.1 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.525 1.141 . . . . 0.0 110.965 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.402 ' N ' HD23 ' A' ' 89' ' ' LEU . 5.3 mt -72.11 -179.32 2.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 0.75 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -88.82 0.23 56.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.266 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -109.38 19.81 18.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 69.52 28.07 72.76 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.515 1.134 . . . . 0.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.28 103.26 14.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 0.771 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -98.46 128.13 44.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.349 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -120.4 163.0 18.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 110.985 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.434 ' O ' ' O ' ' A' ' 15' ' ' CYS . 16.1 mt -130.64 119.1 21.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.785 ' HB3' HD23 ' A' ' 14' ' ' LEU . 98.3 m-85 -121.19 132.5 54.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.535 ' HG3' HG22 ' A' ' 84' ' ' VAL . 43.7 tt0 -109.13 108.44 19.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.289 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.542 ' HA ' HD11 ' A' ' 14' ' ' LEU . . . -71.16 174.58 6.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.087 . . . . 0.0 109.259 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 24.1 pttt -76.37 -36.34 58.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.354 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.561 ' HA ' ' CE1' ' A' ' 83' ' ' HIS . 62.9 m-20 -154.37 -178.5 7.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.364 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -57.5 -44.55 85.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.318 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.17 -67.93 0.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -38.4 -46.48 1.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.292 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.538 ' SD ' ' N ' ' A' ' 106' ' ' SER . 3.6 tmm? -60.21 -71.59 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.538 ' N ' ' SD ' ' A' ' 105' ' ' MET . 0.5 OUTLIER -35.04 -50.32 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.069 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.927 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.3 OUTLIER -54.32 -51.76 63.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.974 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.581 ' CD1' ' HE1' ' A' ' 10' ' ' MET . 19.1 m95 -51.3 -51.83 50.66 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.736 HD21 ' CG ' ' A' ' 85' ' ' PHE . 2.7 mm? -56.36 -48.75 76.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -59.69 -42.14 92.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.302 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 1.024 HG12 HD22 ' A' ' 39' ' ' LEU . 21.6 t -69.84 -59.5 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 108' ' ' TRP . 76.9 t -47.56 -41.01 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -70.13 -38.57 75.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.35 -17.9 64.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.552 ' HB1' ' HA2' ' A' ' 42' ' ' GLY . . . -90.67 -41.93 11.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.615 HD13 ' O ' ' A' ' 70' ' ' ALA . 51.4 mt -59.08 -53.13 52.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -53.72 -43.65 69.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.017 179.994 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -96.28 145.66 25.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.328 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.631 ' HE1' ' CD1' ' A' ' 108' ' ' TRP . 4.9 ttt -151.87 137.05 17.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 111.039 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.436 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 6.6 pt-20 -154.7 131.72 10.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.322 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -172.44 167.13 40.0 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.53 1.144 . . . . 0.0 110.992 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.687 ' HE3' ' HA ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -71.55 115.17 10.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 0.775 . . . . 0.0 111.031 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.62 HD12 ' O ' ' A' ' 13' ' ' MET . 2.2 mp -131.65 150.17 52.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -87.79 95.68 10.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 108.325 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.574 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 18.2 ttp180 -87.99 118.4 27.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.269 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.516 ' HD3' ' CE2' ' A' ' 32' ' ' TRP . 0.4 OUTLIER -123.79 95.54 4.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.466 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 13.1 tt0 -60.06 112.49 1.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.283 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -92.59 -56.67 2.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.115 . . . . 0.0 110.317 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 88.4 mmm -117.63 155.79 29.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 110.993 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.514 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 9.3 tt0 -111.33 -12.19 14.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.296 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.514 ' HB2' ' O ' ' A' ' 21' ' ' GLU . . . 174.56 173.74 0.2 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -47.26 117.5 1.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 59.46 14.27 26.79 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.518 1.136 . . . . 0.0 110.966 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.29 127.23 46.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 0.772 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.74 139.18 32.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.431 1.082 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.466 ' CB ' ' HG2' ' A' ' 18' ' ' GLN . . . -78.16 131.57 37.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.102 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.66 -62.95 0.79 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -110.37 134.28 52.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.448 ' NH1' ' HB2' ' A' ' 30' ' ' ARG . 13.3 mtm105 -127.84 50.5 2.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 110.281 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.9 m -96.09 159.75 14.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.039 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.516 ' CE2' ' HD3' ' A' ' 17' ' ' LYS . 81.5 m95 -86.29 128.02 34.86 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.568 ' O ' HG23 ' A' ' 35' ' ' VAL . 3.7 mp0 -145.29 123.84 12.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 110.32 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -63.18 104.19 0.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 33' ' ' GLN . 58.3 t -117.81 127.0 75.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.683 ' CZ ' ' HB2' ' A' ' 50' ' ' ALA . 6.8 t80 -71.4 108.28 4.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.523 ' SG ' ' CE1' ' A' ' 97' ' ' PHE . 0.6 OUTLIER -76.66 128.13 34.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 108.3 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 74.9 t -127.52 105.52 13.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.33 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.864 HD22 HG12 ' A' ' 111' ' ' VAL . 0.7 OUTLIER -97.26 138.41 34.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -176.87 136.44 0.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.287 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.6 mtm180 64.12 33.46 11.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.312 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.73 ' HA2' ' HB1' ' A' ' 115' ' ' ALA . . . 67.75 20.79 72.57 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.442 ' O ' ' HA ' ' A' ' 39' ' ' LEU . 3.1 m -118.8 166.85 12.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 0.752 . . . . 0.0 109.998 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.433 HD11 ' SG ' ' A' ' 37' ' ' CYS . 50.0 tp -133.76 103.04 5.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -98.53 158.13 20.37 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.582 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 67.4 m-85 -119.05 144.91 46.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 0.783 . . . . 0.0 110.955 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.582 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 34.5 m-85 -150.35 156.66 41.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -48.37 -65.46 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.687 ' HA ' ' HE3' ' A' ' 13' ' ' MET . 0.9 OUTLIER -150.61 -175.55 5.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.683 ' HB2' ' CZ ' ' A' ' 36' ' ' TYR . . . -62.54 -14.19 39.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.343 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -77.56 -43.43 31.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.8 -37.07 70.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.249 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.23 -51.54 64.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.77 -28.17 68.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.004 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.809 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -90.67 12.09 20.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.44 1.087 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 42.31 33.89 1.47 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.809 HG23 ' O ' ' A' ' 55' ' ' ALA . 96.8 t -101.52 121.01 52.94 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.495 0.762 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 136.07 19.93 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.495 1.787 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -50.14 -67.3 0.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 17.2 m170 -117.11 43.74 2.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.08 . . . . 0.0 109.59 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 51.28 20.4 4.96 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -77.28 160.56 28.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 0.776 . . . . 0.0 110.339 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -105.76 168.34 8.41 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.361 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 136.37 20.37 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.464 1.771 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 17.2 m -85.23 124.5 40.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.51 127.82 34.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.032 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.478 HD11 HD12 ' A' ' 39' ' ' LEU . 8.3 mt -90.6 40.65 1.02 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.445 ' O ' ' NE2' ' A' ' 90' ' ' GLN . . . -83.26 110.99 18.55 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.104 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.7 mtm180 69.24 17.88 8.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.252 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -77.43 176.16 9.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -146.87 134.63 21.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -122.2 124.67 5.81 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.493 1.12 . . . . 0.0 110.992 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.1 t -136.54 161.26 36.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 0.775 . . . . 0.0 110.037 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.649 HG22 ' CE ' ' A' ' 105' ' ' MET . 38.8 t -83.14 150.4 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.241 -179.962 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.538 ' O ' ' CG ' ' A' ' 83' ' ' HIS . 7.4 mtpt . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.64 ' CE1' ' O ' ' A' ' 99' ' ' ALA . 19.2 p80 49.62 60.86 3.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.553 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.768 HG22 ' HG3' ' A' ' 98' ' ' GLN . 65.8 t -131.56 122.44 50.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.588 ' CZ ' ' HB2' ' A' ' 97' ' ' PHE . 8.5 p90 -129.45 136.8 50.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 111.027 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.0 ttmt -92.84 128.62 38.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.769 HD13 HG11 ' A' ' 112' ' ' VAL . 37.2 tp -109.73 100.54 9.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -92.86 115.24 4.83 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.544 1.152 . . . . 0.0 111.057 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.0 mt -73.38 -177.01 2.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 0.773 . . . . 0.0 109.317 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.445 ' NE2' ' O ' ' A' ' 68' ' ' ALA . 10.6 pt20 -89.54 -5.88 56.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -106.14 27.98 8.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 109.276 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 62.51 36.33 93.03 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.479 1.112 . . . . 0.0 111.028 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.88 108.7 20.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 0.775 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -106.87 125.67 51.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.308 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -122.22 143.81 49.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.487 HD23 ' HA ' ' A' ' 96' ' ' LEU . 9.8 mt -108.35 121.55 45.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.588 ' HB2' ' CZ ' ' A' ' 85' ' ' PHE . 72.0 m-85 -120.13 146.69 45.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.097 . . . . 0.0 111.034 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.768 ' HG3' HG22 ' A' ' 84' ' ' VAL . 2.8 tt0 -125.26 111.99 15.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.657 ' HB1' ' HB3' ' A' ' 104' ' ' GLU . . . -77.35 -140.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.439 ' HG3' ' N ' ' A' ' 101' ' ' ASP . 0.0 OUTLIER -119.59 -27.2 5.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . 0.439 ' N ' ' HG3' ' A' ' 100' ' ' LYS . 64.7 m-20 -161.75 -174.77 4.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -69.45 -8.36 46.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 110.277 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 104' ' ' GLU . . . -89.23 -71.0 0.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.657 ' HB3' ' HB1' ' A' ' 99' ' ' ALA . 0.9 OUTLIER -37.9 -43.05 0.66 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 110.3 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.649 ' CE ' HG22 ' A' ' 74' ' ' VAL . 4.8 ttp -69.59 -61.87 1.61 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -39.62 -40.23 0.86 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.994 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.844 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.3 OUTLIER -65.16 -51.14 62.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.97 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.631 ' CD1' ' HE1' ' A' ' 10' ' ' MET . 30.1 m95 -45.44 -63.43 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 107.993 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.562 HD21 ' CG ' ' A' ' 85' ' ' PHE . 0.9 OUTLIER -44.36 -50.93 8.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.31 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 45.6 ttt180 -56.51 -36.84 69.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.304 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.864 HG12 HD22 ' A' ' 39' ' ' LEU . 17.2 t -77.33 -59.44 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.769 HG11 HD13 ' A' ' 87' ' ' LEU . 87.8 t -46.04 -38.49 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.231 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -71.45 -37.52 71.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 111' ' ' VAL . . . -67.71 -17.64 64.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.73 ' HB1' ' HA2' ' A' ' 42' ' ' GLY . . . -91.19 -41.72 10.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.427 1.08 . . . . 0.0 109.329 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 52.2 mt -58.2 -58.98 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.66 -62.92 1.32 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.038 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.531 ' CD ' ' HB1' ' A' ' 114' ' ' ALA . 1.7 mp0 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -100.19 142.07 32.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.306 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' MET . . . . . 0.87 ' HB2' HG11 ' A' ' 111' ' ' VAL . 5.0 ttt -140.58 131.15 25.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 110.993 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.481 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 7.8 pt-20 -146.64 125.57 12.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.304 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.14 158.68 31.35 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.476 1.11 . . . . 0.0 110.986 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.73 ' O ' HD12 ' A' ' 14' ' ' LEU . 2.0 mmt -59.35 120.28 9.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 0.797 . . . . 0.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.73 HD12 ' O ' ' A' ' 13' ' ' MET . 1.7 mp -140.93 154.68 46.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.455 ' O ' ' O ' ' A' ' 96' ' ' LEU . 0.1 OUTLIER -97.03 96.76 8.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 108.296 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.527 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 10.4 ttp180 -88.51 119.66 29.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.274 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.465 ' HD2' ' CE2' ' A' ' 32' ' ' TRP . 4.1 tttp -124.98 94.7 4.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.491 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 44.1 tt0 -66.73 111.47 3.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.267 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.479 ' OE2' ' N ' ' A' ' 96' ' ' LEU . 0.6 OUTLIER -95.1 -50.22 5.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.303 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.513 ' CE ' ' O ' ' A' ' 25' ' ' LYS . 69.8 mmm -114.98 142.68 46.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.401 ' O ' ' O ' ' A' ' 92' ' ' GLY . 3.1 tt0 -112.93 -11.6 13.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 110.273 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.466 ' HA ' ' O ' ' A' ' 92' ' ' GLY . . . -166.02 176.53 7.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -60.13 128.83 38.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 111.019 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 43.37 32.08 1.7 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.489 1.118 . . . . 0.0 110.993 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.513 ' O ' ' CE ' ' A' ' 20' ' ' MET . 0.0 OUTLIER -107.31 -158.19 0.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.765 . . . . 0.0 109.262 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.0 pttt -153.07 140.7 19.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.491 ' CB ' ' HG2' ' A' ' 18' ' ' GLN . . . -83.3 142.32 31.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 27' ' ' ALA . . . -40.37 -71.16 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.25 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -104.4 138.97 40.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 40.3 mtm180 -124.97 56.5 1.32 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.95 158.0 27.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.016 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.465 ' CE2' ' HD2' ' A' ' 17' ' ' LYS . 86.6 m95 -79.58 132.41 36.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 108.011 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.438 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.3 mt-30 -144.41 129.59 18.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 110.288 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -66.02 103.86 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.471 ' CG1' ' HB3' ' A' ' 46' ' ' PHE . 47.8 t -125.36 125.59 69.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.753 ' CE1' ' HB2' ' A' ' 50' ' ' ALA . 57.0 t80 -73.07 110.36 7.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 110.988 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.638 ' SG ' HD11 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -74.16 132.14 41.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 108.313 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 56.4 t -128.95 105.33 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.332 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.994 HD22 HG12 ' A' ' 111' ' ' VAL . 0.6 OUTLIER -102.5 141.84 34.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.282 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 42' ' ' GLY . 1.1 tpt180 -134.17 -149.68 0.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.32 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.6 mmt85 -66.62 68.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 40' ' ' ARG . . . 79.03 55.16 3.86 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.469 1.106 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.45 ' O ' ' HA ' ' A' ' 39' ' ' LEU . 33.2 p -159.82 166.69 29.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 0.77 . . . . 0.0 110.002 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.638 HD11 ' SG ' ' A' ' 37' ' ' CYS . 28.5 tp -150.62 102.9 3.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.22 155.27 19.52 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.503 1.127 . . . . 0.0 110.986 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.588 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 66.0 m-85 -115.2 137.22 52.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 0.776 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.588 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 5.4 m-85 -143.68 163.13 34.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -53.02 -67.05 0.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.599 ' H ' ' HB3' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -146.73 179.02 7.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.753 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . . . -60.52 -18.69 53.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.3 mmtm -85.74 -17.72 35.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.599 ' HB3' ' H ' ' A' ' 49' ' ' ASP . . . -95.64 -13.35 24.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.09 -41.87 24.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.06 -40.72 96.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.986 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.03 -21.61 62.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.87 43.48 11.24 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.515 1.134 . . . . 0.0 110.982 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 84.0 t -105.08 105.08 50.26 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.515 0.773 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 128.41 11.47 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.52 1.8 . . . . 0.0 110.968 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.402 ' C ' ' N ' ' A' ' 61' ' ' GLY . 4.6 t80 -49.97 118.84 3.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 110.988 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 11.4 m170 48.83 23.44 0.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 0.0 109.571 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.402 ' N ' ' C ' ' A' ' 59' ' ' TYR . . . 63.74 23.42 67.21 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.487 1.117 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.433 ' O ' ' O ' ' A' ' 63' ' ' VAL . 38.5 mt-10 -75.41 97.61 3.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 0.778 . . . . 0.0 110.307 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.433 ' O ' ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -43.2 166.97 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 170.77 19.68 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.474 1.776 . . . . 0.0 110.991 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.467 ' CG2' ' HB3' ' A' ' 44' ' ' LEU . 35.3 m -110.37 133.46 55.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.3 128.66 34.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.975 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.648 HD11 HD12 ' A' ' 39' ' ' LEU . 37.1 mt -89.24 41.87 1.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -86.69 106.77 17.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.56 15.17 3.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -79.23 172.51 13.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -148.96 147.63 28.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 110.29 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.422 ' C ' ' CD1' ' A' ' 109' ' ' LEU . . . -121.28 116.18 3.07 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.483 1.114 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.32 160.33 21.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 0.728 . . . . 0.0 110.053 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.59 HG22 ' HE3' ' A' ' 105' ' ' MET . 3.5 t -100.31 140.03 20.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.538 ' HB3' ' O ' ' A' ' 84' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.546 ' O ' HG23 ' A' ' 84' ' ' VAL . 70.7 mttt . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 40.74 80.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.568 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.668 HG13 ' O ' ' A' ' 97' ' ' PHE . 85.0 t -140.7 137.68 35.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.329 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.603 ' CZ ' ' HB2' ' A' ' 97' ' ' PHE . 11.4 p90 -123.6 135.34 53.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.433 ' HE3' HD21 ' A' ' 96' ' ' LEU . 26.7 ttmt -86.41 116.0 24.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.659 HD13 HG11 ' A' ' 112' ' ' VAL . 26.1 tp -95.4 97.95 10.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -95.5 112.97 4.51 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.531 1.144 . . . . 0.0 111.029 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.43 HD12 ' HB3' ' A' ' 93' ' ' LYS . 14.7 mt -66.25 -126.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 0.742 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.571 ' O ' ' CB ' ' A' ' 91' ' ' ASP . 1.5 pt20 -85.84 22.34 1.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 110.257 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.571 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 6.0 t0 88.39 -18.67 0.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . 0.466 ' O ' ' HA ' ' A' ' 22' ' ' ALA . . . -93.19 10.05 74.0 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . 0.43 ' HB3' HD12 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -163.15 124.29 2.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 0.779 . . . . 0.0 109.284 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -137.22 125.43 23.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 110.33 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' TYR . . . . . 0.458 ' C ' ' OE2' ' A' ' 19' ' ' GLU . 93.1 m-85 -122.13 154.67 37.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.479 ' N ' ' OE2' ' A' ' 19' ' ' GLU . 19.8 mt -115.04 107.77 15.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.668 ' O ' HG13 ' A' ' 84' ' ' VAL . 97.0 m-85 -106.99 140.24 40.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 111.008 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.611 ' CB ' HG22 ' A' ' 84' ' ' VAL . 2.3 tt0 -116.67 121.52 41.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 110.358 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.573 ' HB1' ' HB3' ' A' ' 104' ' ' GLU . . . -86.42 173.63 9.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.3 pttp -75.75 -31.27 59.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -159.38 -175.81 5.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -62.96 -25.57 68.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.71 -71.79 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.573 ' HB3' ' HB1' ' A' ' 99' ' ' ALA . 0.6 OUTLIER -40.16 -38.24 0.73 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.315 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.59 ' HE3' HG22 ' A' ' 74' ' ' VAL . 5.4 ttp -69.93 -69.14 0.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 111.029 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.1 t -39.48 -45.93 1.62 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 110.034 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . 0.739 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.3 OUTLIER -58.36 -54.91 41.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.976 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' TRP . . . . . 0.55 ' CH2' ' HB3' ' A' ' 37' ' ' CYS . 17.4 m95 -42.63 -62.69 0.92 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 107.998 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.582 HD21 ' CG ' ' A' ' 85' ' ' PHE . 0.4 OUTLIER -46.71 -50.03 18.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.4 ' HB3' ' O ' ' A' ' 107' ' ' SER . 51.5 ttt180 -56.93 -33.77 67.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.277 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.994 HG12 HD22 ' A' ' 39' ' ' LEU . 21.9 t -80.09 -57.91 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.659 HG11 HD13 ' A' ' 87' ' ' LEU . 86.7 t -47.22 -38.72 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.256 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -72.02 -37.02 69.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.531 ' HB1' ' CD ' ' A' ' 8' ' ' GLU . . . -71.32 -20.06 62.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.67 ' HB2' HD21 ' A' ' 39' ' ' LEU . . . -87.61 -45.51 10.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 34.9 mt -53.55 -53.02 27.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -54.77 -40.68 69.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.973 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.2 t -161.49 -58.42 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 0.774 . . . . 0.0 110.029 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -152.76 143.59 22.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.005 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.89 -114.04 4.66 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.492 1.12 . . . . 0.0 111.023 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.68 100.0 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 0.791 . . . . 0.0 109.97 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.27 -64.38 0.84 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 110.006 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.27 114.18 0.32 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.525 1.141 . . . . 0.0 111.037 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.466 ' HB2' ' CB ' ' A' ' 114' ' ' ALA . 6.0 mm-40 -111.04 108.67 18.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 0.763 . . . . 0.0 110.301 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 -94.96 148.84 21.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.733 ' CB ' HG11 ' A' ' 111' ' ' VAL . 5.0 ttt -157.49 132.99 9.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 111.005 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.451 ' N ' ' CD ' ' A' ' 11' ' ' GLU . 1.4 pm0 -150.69 132.93 15.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -171.57 175.34 45.07 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.713 ' O ' HD12 ' A' ' 14' ' ' LEU . 1.1 mmt -76.89 119.84 21.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 0.748 . . . . 0.0 110.997 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.713 HD12 ' O ' ' A' ' 13' ' ' MET . 1.8 mp -138.32 153.99 48.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.422 ' O ' ' O ' ' A' ' 96' ' ' LEU . 0.1 OUTLIER -94.84 96.24 9.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 108.322 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.572 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 14.4 ttp180 -88.89 120.62 30.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.287 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.514 ' HD2' ' CE2' ' A' ' 32' ' ' TRP . 3.7 tttp -124.5 97.14 5.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.461 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 43.8 tt0 -62.29 109.32 1.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.331 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -94.72 -60.51 1.69 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 110.324 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 3.0 mtp -105.22 130.17 53.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.946 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -98.75 -10.6 22.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.298 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -177.56 166.34 2.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.135 . . . . 0.0 109.291 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -43.22 123.48 2.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 48.19 27.74 5.59 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.479 1.112 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.494 ' CE ' ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -114.55 126.27 54.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 0.798 . . . . 0.0 109.317 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.494 ' O ' ' CE ' ' A' ' 25' ' ' LYS . 1.6 pttt -86.28 122.49 30.33 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.461 ' CB ' ' HG2' ' A' ' 18' ' ' GLN . . . -53.61 -173.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 29' ' ' ASN . . . -108.65 -75.71 0.63 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 28' ' ' ALA . 13.2 t-20 -39.13 -67.58 0.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 77.6 mtm180 47.44 37.35 6.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.22 134.97 55.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.992 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.514 ' CE2' ' HD2' ' A' ' 17' ' ' LYS . 86.4 m95 -65.29 123.88 20.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.157 . . . . 0.0 108.027 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.461 ' O ' HG23 ' A' ' 35' ' ' VAL . 8.6 mt-30 -147.28 139.5 24.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.306 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -70.6 103.8 2.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.475 ' CG1' ' HB3' ' A' ' 46' ' ' PHE . 21.4 t -119.69 122.51 68.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.488 ' CD2' ' HB2' ' A' ' 53' ' ' ALA . 13.7 t80 -72.02 110.55 6.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 111.007 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.622 ' SG ' HD11 ' A' ' 44' ' ' LEU . 0.5 OUTLIER -76.82 129.36 36.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 108.288 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 94.0 t -129.11 105.71 13.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.939 HD22 HG12 ' A' ' 111' ' ' VAL . 0.8 OUTLIER -97.85 136.16 38.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.24 142.19 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.341 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 60.12 14.45 4.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 110.296 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.576 ' HA2' ' HB1' ' A' ' 115' ' ' ALA . . . 82.73 30.46 32.43 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.46 1.1 . . . . 0.0 110.989 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.79 133.63 40.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 0.77 . . . . 0.0 109.978 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.622 HD11 ' SG ' ' A' ' 37' ' ' CYS . 41.0 tp -95.88 113.86 25.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -101.02 159.28 18.91 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.539 1.15 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.475 ' HB3' ' CG1' ' A' ' 35' ' ' VAL . 52.3 m-85 -124.94 126.53 45.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 0.79 . . . . 0.0 111.03 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.414 ' CD1' ' N ' ' A' ' 47' ' ' TYR . 19.8 m-85 -137.38 158.12 45.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 110.953 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -50.43 -62.53 1.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -156.04 -175.87 5.66 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.518 1.136 . . . . 0.0 109.232 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.03 -15.09 28.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.424 ' HD2' ' N ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -80.4 -26.69 38.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -96.18 -15.97 21.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.488 ' HB2' ' CD2' ' A' ' 36' ' ' TYR . . . -80.13 -36.59 35.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 45.3 t -83.13 -16.77 45.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.032 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.99 5.07 42.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 53.73 33.64 49.3 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.504 1.128 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 89.5 t -100.32 117.9 62.21 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.461 0.742 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 137.08 21.28 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.49 1.784 . . . . 0.0 111.012 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 17.7 t80 -38.38 -65.26 0.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 111.045 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -125.51 1.59 7.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.585 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 108.0 9.27 28.38 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.462 1.101 . . . . 0.0 110.995 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -73.89 132.75 42.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 0.764 . . . . 0.0 110.308 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -80.86 172.05 10.78 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.355 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 134.73 18.18 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.511 1.795 . . . . 0.0 111.028 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.483 ' HB ' HD11 ' A' ' 89' ' ' LEU . 11.4 m -81.21 122.76 36.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.4 p -65.32 128.85 37.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.558 1.161 . . . . 0.0 110.001 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.511 HD11 HD12 ' A' ' 39' ' ' LEU . 6.6 mt -92.97 34.68 1.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.454 ' O ' ' CB ' ' A' ' 69' ' ' ARG . . . -82.65 100.69 10.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.454 ' CB ' ' O ' ' A' ' 68' ' ' ALA . 0.1 OUTLIER 80.37 22.81 0.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.281 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -88.29 158.78 18.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.71 ' O ' HD12 ' A' ' 87' ' ' LEU . 0.9 OUTLIER -115.91 142.39 46.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 110.273 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -134.77 111.3 0.91 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.519 1.137 . . . . 0.0 111.014 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 73.4 m -136.73 160.64 38.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 0.764 . . . . 0.0 109.987 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.635 HG22 ' CE ' ' A' ' 105' ' ' MET . 53.6 t -67.59 159.96 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -94.5 72.65 3.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.569 ' CE2' ' HB ' ' A' ' 74' ' ' VAL . 54.3 m-85 -76.8 83.92 3.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 111.014 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.404 ' O ' ' N ' ' A' ' 79' ' ' ARG . 0.1 OUTLIER 171.52 -48.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.11 . . . . 0.0 109.35 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.471 ' CZ ' ' CG ' ' A' ' 81' ' ' ARG . 0.4 OUTLIER -41.95 96.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.978 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.404 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.6 OUTLIER -93.3 68.02 4.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.244 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.24 -55.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.471 ' CG ' ' CZ ' ' A' ' 78' ' ' TYR . 22.8 mmt180 -90.88 165.7 13.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.276 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 37.6 mttm -126.4 154.8 43.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.413 ' HA ' ' SD ' ' A' ' 105' ' ' MET . 0.0 OUTLIER 51.4 65.81 1.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.563 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.575 HG13 ' O ' ' A' ' 97' ' ' PHE . 53.4 t -130.91 140.63 48.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.61 ' CZ ' ' HB2' ' A' ' 97' ' ' PHE . 3.2 p90 -131.87 143.29 50.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.976 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 17.8 ttmt -95.99 131.09 42.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.71 HD12 ' O ' ' A' ' 71' ' ' GLN . 41.3 tp -114.17 114.29 25.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.349 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -108.39 114.82 4.23 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.536 1.148 . . . . 0.0 111.032 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.483 HD11 ' HB ' ' A' ' 65' ' ' VAL . 5.2 mt -73.3 -173.89 1.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 0.786 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -95.09 -17.39 21.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 1.15 . . . . 0.0 110.323 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.414 ' HB3' ' NZ ' ' A' ' 93' ' ' LYS . 4.4 t0 -86.49 3.83 42.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.253 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 87.72 24.01 37.18 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.561 1.163 . . . . 0.0 111.015 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.414 ' NZ ' ' HB3' ' A' ' 91' ' ' ASP . 0.0 OUTLIER -96.12 122.36 38.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 0.782 . . . . 0.0 109.306 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -119.7 124.4 46.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.276 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -121.87 154.53 36.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.948 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.422 ' O ' ' O ' ' A' ' 15' ' ' CYS . 16.8 mt -118.94 122.84 43.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.135 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.61 ' HB2' ' CZ ' ' A' ' 85' ' ' PHE . 96.4 m-85 -120.38 143.54 48.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 111.022 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.574 ' HA ' HG22 ' A' ' 84' ' ' VAL . 29.3 tt0 -119.52 109.45 15.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.738 ' HB1' ' HB3' ' A' ' 104' ' ' GLU . . . -73.11 174.56 7.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 109.291 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.23 -26.41 42.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -164.71 -177.19 4.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -59.79 -27.11 66.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.496 1.122 . . . . 0.0 110.286 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.41 -71.69 0.22 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.14 . . . . 0.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.738 ' HB3' ' HB1' ' A' ' 99' ' ' ALA . 0.6 OUTLIER -40.22 -46.35 2.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.341 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.635 ' CE ' HG22 ' A' ' 74' ' ' VAL . 12.0 ttp -61.96 -68.4 0.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.989 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 15.1 t -44.43 -49.84 9.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.153 . . . . 0.0 110.023 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.753 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.3 OUTLIER -52.73 -56.15 17.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.971 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.576 ' CD1' ' HE1' ' A' ' 10' ' ' MET . 24.6 m95 -42.24 -63.9 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.59 HD21 ' CG ' ' A' ' 85' ' ' PHE . 0.8 OUTLIER -43.33 -54.05 4.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 34.5 ttt-85 -53.47 -34.14 56.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.285 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.939 HG12 HD22 ' A' ' 39' ' ' LEU . 18.8 t -80.58 -59.21 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.142 . . . . 0.0 109.306 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.45 HG11 HD13 ' A' ' 87' ' ' LEU . 98.9 t -47.47 -36.66 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -72.46 -35.52 68.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.466 ' CB ' ' HB2' ' A' ' 8' ' ' GLU . . . -71.64 -16.44 62.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.576 ' HB1' ' HA2' ' A' ' 42' ' ' GLY . . . -93.24 -44.58 8.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 45.2 mt -55.76 -58.17 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.29 -63.24 1.2 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 0.0 109.313 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.94 -59.04 3.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 110.034 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 99.18 162.14 29.51 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.527 1.142 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 75.71 3.6 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.49 1.784 . . . . 0.0 111.027 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 23.8 m -65.64 134.18 52.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.05 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 77.6 p -135.49 162.79 31.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.976 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.493 1.121 . . . . 0.0 110.969 179.97 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t -146.18 84.96 1.65 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 0.762 . . . . 0.0 110.018 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.5 t -98.37 109.41 22.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 110.029 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.65 -167.69 11.51 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.47 1.106 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.48 139.05 31.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 0.765 . . . . 0.0 109.967 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.1 p -51.45 -57.96 7.58 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.562 1.163 . . . . 0.0 110.001 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.44 152.19 5.58 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -85.83 102.45 13.7 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 0.743 . . . . 0.0 110.315 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.442 ' HA ' HD23 ' A' ' 39' ' ' LEU . 4.8 pp0? -97.84 161.95 13.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.673 ' CB ' HG11 ' A' ' 111' ' ' VAL . 8.0 ttt -166.9 128.07 1.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.424 1.078 . . . . 0.0 111.008 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.458 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 8.6 pt-20 -144.92 125.68 14.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.322 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.01 159.36 32.72 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.517 1.136 . . . . 0.0 110.968 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.702 ' O ' HD12 ' A' ' 14' ' ' LEU . 1.9 mmt -58.41 122.39 13.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 0.788 . . . . 0.0 111.003 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.732 HD23 ' HB3' ' A' ' 97' ' ' PHE . 1.5 mp -142.34 155.14 45.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.423 ' O ' ' O ' ' A' ' 96' ' ' LEU . 0.8 OUTLIER -97.03 96.17 8.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 108.289 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.513 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 10.6 ttp180 -88.77 120.42 30.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 110.241 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.482 ' HD2' ' CE2' ' A' ' 32' ' ' TRP . 3.3 tttt -124.25 99.54 6.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.367 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.463 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 17.2 tt0 -61.61 109.42 1.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.347 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -85.46 -61.42 1.77 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.321 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 80.2 mmm -118.53 145.66 45.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 111.017 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -103.12 -12.76 17.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -176.16 169.78 2.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.357 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -51.42 120.65 5.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.11 . . . . 0.0 110.99 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 60.11 14.27 31.48 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.524 1.14 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.479 ' CE ' ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -107.95 129.39 55.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 0.777 . . . . 0.0 109.328 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.479 ' O ' ' CE ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -94.79 142.88 26.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.463 ' CB ' ' HG2' ' A' ' 18' ' ' GLN . . . -67.66 159.75 29.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.22 -75.4 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -63.78 -68.29 0.36 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.425 ' CB ' ' CZ ' ' A' ' 30' ' ' ARG . 1.5 ttm105 65.26 46.58 2.62 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.526 1.141 . . . . 0.0 110.286 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.5 t -120.21 169.27 10.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.974 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.482 ' CE2' ' HD2' ' A' ' 17' ' ' LYS . 77.7 m95 -85.73 128.51 34.81 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.529 ' O ' HG23 ' A' ' 35' ' ' VAL . 45.6 mt-30 -147.28 123.0 10.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.109 . . . . 0.0 110.304 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -63.94 103.56 0.6 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.599 HG11 ' HB3' ' A' ' 46' ' ' PHE . 61.8 t -121.06 127.12 75.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.536 ' CE1' ' HB2' ' A' ' 50' ' ' ALA . 53.2 t80 -70.73 109.99 5.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 111.0 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.772 ' SG ' HD11 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -74.52 131.22 40.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 108.315 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 84.4 t -129.95 105.03 11.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 1.051 HD22 HG12 ' A' ' 111' ' ' VAL . 0.7 OUTLIER -96.49 137.14 36.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -172.96 145.41 1.39 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 0.0 110.293 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 50.97 22.4 1.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.329 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.711 ' HA2' ' HB1' ' A' ' 115' ' ' ALA . . . 75.63 38.01 38.63 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.478 1.111 . . . . 0.0 111.043 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.9 m -140.81 128.46 21.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 0.757 . . . . 0.0 109.996 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.772 HD11 ' SG ' ' A' ' 37' ' ' CYS . 30.3 tp -91.35 112.95 25.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.35 155.7 18.5 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.489 1.118 . . . . 0.0 110.969 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.599 ' HB3' HG11 ' A' ' 35' ' ' VAL . 42.7 m-85 -118.56 140.83 49.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 0.77 . . . . 0.0 110.993 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.589 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 32.8 m-85 -150.31 167.93 25.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.451 1.095 . . . . 0.0 111.005 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.4 ttpt -60.31 -61.39 2.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.256 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.556 ' H ' ' HB3' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -152.98 -176.54 5.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 109.288 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.536 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . . . -64.01 -16.7 62.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.0 mmtt -86.58 -18.72 30.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.556 ' HB3' ' H ' ' A' ' 49' ' ' ASP . . . -94.76 -22.63 17.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.12 -47.77 27.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.243 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.42 -37.12 86.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 110.025 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -78.13 -5.49 51.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 63.25 33.44 87.25 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.486 1.116 . . . . 0.0 110.974 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 86.9 t -97.77 115.96 65.75 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.479 0.752 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 132.11 15.06 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.504 1.791 . . . . 0.0 110.982 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -44.86 -63.88 0.82 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -124.56 43.67 2.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.61 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 52.65 23.85 15.98 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.452 1.095 . . . . 0.0 110.979 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -83.76 160.8 21.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 0.751 . . . . 0.0 110.317 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -104.04 169.02 7.77 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 136.52 20.34 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.481 1.78 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.447 ' HB ' HD11 ' A' ' 89' ' ' LEU . 16.1 m -82.63 123.47 38.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.279 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.3 t -66.59 128.07 34.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.024 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.599 HD11 HD12 ' A' ' 39' ' ' LEU . 5.4 mt -91.8 36.07 0.96 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.13 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -85.28 111.35 19.79 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 71.86 28.97 2.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 110.312 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -98.71 160.01 14.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.614 ' O ' HD12 ' A' ' 87' ' ' LEU . 5.5 pt20 -114.22 144.8 42.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 110.337 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -134.54 108.82 0.74 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.498 1.124 . . . . 0.0 110.975 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 69.6 m -135.69 160.97 36.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 0.757 . . . . 0.0 110.008 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.8 HG22 ' HE3' ' A' ' 105' ' ' MET . 72.9 t -70.84 160.23 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 109.256 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.411 ' N ' ' HA ' ' A' ' 85' ' ' PHE . . . -108.27 75.23 0.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.349 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -69.91 -44.02 70.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 111.026 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -43.55 -54.82 4.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -39.29 99.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 111.022 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.8 mtm180 -98.3 79.1 2.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.263 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 178.31 -60.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 3.0 mtt85 -83.82 174.8 10.11 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.514 1.134 . . . . 0.0 110.235 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 44.7 mttt -135.4 154.19 51.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.405 ' HA ' ' SD ' ' A' ' 105' ' ' MET . 0.2 OUTLIER 54.26 59.62 4.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.642 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.475 HG22 ' HA ' ' A' ' 98' ' ' GLN . 96.7 t -129.85 137.72 55.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.602 ' CZ ' ' HB2' ' A' ' 97' ' ' PHE . 3.8 p90 -130.4 144.31 51.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.428 ' HA ' HD23 ' A' ' 96' ' ' LEU . 22.6 ttmt -92.25 143.18 26.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.614 HD12 ' O ' ' A' ' 71' ' ' GLN . 39.8 tp -128.45 105.64 8.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -103.02 114.84 4.99 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.486 1.116 . . . . 0.0 110.973 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.447 HD11 ' HB ' ' A' ' 65' ' ' VAL . 4.9 mt -72.92 -172.1 0.98 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 0.762 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -96.62 -12.18 24.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 110.3 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 47.5 t0 -95.7 20.24 10.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 109.259 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 70.26 31.69 68.87 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.478 1.112 . . . . 0.0 110.957 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.02 114.76 29.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 0.741 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -110.09 130.62 55.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.246 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -124.62 161.35 26.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 111.001 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 96' ' ' LEU . 19.7 mt -131.25 121.87 25.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.103 . . . . 0.0 109.244 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.732 ' HB3' HD23 ' A' ' 14' ' ' LEU . 96.4 m-85 -122.91 134.66 54.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 0.0 110.974 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.475 ' HA ' HG22 ' A' ' 84' ' ' VAL . 27.3 tt0 -108.88 110.18 21.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 110.306 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.644 ' HB1' ' HB3' ' A' ' 104' ' ' GLU . . . -73.18 168.79 18.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.285 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 23.5 pttt -74.07 -26.3 60.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -166.76 172.95 9.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -50.29 -36.33 31.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 110.302 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.79 -70.5 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.644 ' HB3' ' HB1' ' A' ' 99' ' ' ALA . 2.6 tp10 -40.68 -43.46 1.95 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.343 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.8 ' HE3' HG22 ' A' ' 74' ' ' VAL . 11.1 ttp -64.37 -68.5 0.35 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.979 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.86 -46.2 3.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 110.038 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.732 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.3 OUTLIER -57.5 -55.89 28.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 110.046 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.565 ' CH2' ' HB3' ' A' ' 37' ' ' CYS . 27.9 m95 -43.17 -63.35 0.83 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 107.992 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.592 HD21 ' CG ' ' A' ' 85' ' ' PHE . 0.9 OUTLIER -43.44 -52.16 6.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.403 ' HB3' ' O ' ' A' ' 107' ' ' SER . 37.3 ttt180 -55.78 -35.58 66.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 1.051 HG12 HD22 ' A' ' 39' ' ' LEU . 21.2 t -78.69 -58.87 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.164 . . . . 0.0 109.332 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.484 ' N ' ' O ' ' A' ' 108' ' ' TRP . 94.9 t -48.14 -38.17 7.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.125 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -71.52 -36.37 71.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 111' ' ' VAL . . . -69.93 -16.22 63.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.711 ' HB1' ' HA2' ' A' ' 42' ' ' GLY . . . -93.29 -48.47 6.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 38.8 mt -51.62 -57.84 2.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -54.22 -60.39 3.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 66.4 p -59.3 94.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.044 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 169.47 -135.02 3.39 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.543 1.152 . . . . 0.0 110.986 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 75.64 3.63 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.522 1.801 . . . . 0.0 111.029 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.05 151.41 21.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.956 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -131.1 -58.54 1.01 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.007 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.496 1.122 . . . . 0.0 111.024 -179.976 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.25 -57.89 1.38 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 0.751 . . . . 0.0 109.978 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.59 150.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.999 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 57.31 -141.97 43.24 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.512 1.132 . . . . 0.0 110.956 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 p 55.91 166.76 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 0.762 . . . . 0.0 110.027 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -170.5 -57.81 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.995 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.33 108.51 0.22 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.455 1.097 . . . . 0.0 111.047 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.441 ' HB2' ' CB ' ' A' ' 114' ' ' ALA . 5.3 mm-40 -121.25 111.16 17.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 0.779 . . . . 0.0 110.297 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -95.56 152.38 18.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 1.134 . . . . 0.0 110.292 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.643 ' CB ' HG11 ' A' ' 111' ' ' VAL . 8.0 ttt -159.23 128.32 5.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 111.028 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.475 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 13.2 pt-20 -143.47 123.91 13.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.5 154.26 24.64 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.491 1.12 . . . . 0.0 110.962 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.649 ' O ' HD12 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -58.41 123.16 15.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 0.787 . . . . 0.0 110.969 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.649 HD12 ' O ' ' A' ' 13' ' ' MET . 1.4 mp -140.57 155.08 46.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.347 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.43 ' O ' ' HA ' ' A' ' 97' ' ' PHE . 0.5 OUTLIER -94.01 95.87 9.32 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 108.308 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.534 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 9.8 ttp180 -88.54 115.83 26.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.503 ' HD2' ' CE2' ' A' ' 32' ' ' TRP . 4.0 tttt -122.92 104.7 9.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.6 ' OE1' ' CE1' ' A' ' 95' ' ' TYR . 7.6 tp60 -65.05 140.11 58.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -124.5 -50.12 1.76 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 110.29 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.449 ' O ' ' NE2' ' A' ' 18' ' ' GLN . 89.5 mmm -128.56 141.44 51.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 110.967 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -106.08 -10.61 16.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.264 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . -178.38 154.57 0.82 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -43.85 111.32 0.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 111.018 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.85 -35.3 3.54 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.505 1.128 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.477 ' CE ' ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -66.06 123.4 19.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 0.744 . . . . 0.0 109.282 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.477 ' O ' ' CE ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -91.78 139.56 30.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.469 ' CB ' ' HG3' ' A' ' 18' ' ' GLN . . . -66.9 125.93 27.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.63 -72.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -106.17 121.93 45.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.332 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 43.0 mtm180 -113.04 65.59 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.281 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.1 m -106.56 164.12 12.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 110.028 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.503 ' CE2' ' HD2' ' A' ' 17' ' ' LYS . 76.1 m95 -92.56 129.65 38.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 108.044 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.585 ' O ' HG23 ' A' ' 35' ' ' VAL . 9.6 mp0 -145.97 122.05 10.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.302 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -62.39 103.31 0.39 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.33 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 33' ' ' GLN . 59.5 t -120.04 126.53 75.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.682 ' CE1' ' HB2' ' A' ' 50' ' ' ALA . 21.0 t80 -70.32 114.28 8.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 111.001 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.695 ' SG ' HD11 ' A' ' 44' ' ' LEU . 0.3 OUTLIER -79.37 128.64 33.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 108.29 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 60.1 t -126.93 105.68 14.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 1.047 HD22 HG12 ' A' ' 111' ' ' VAL . 0.8 OUTLIER -97.12 136.74 37.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.095 . . . . 0.0 109.331 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -172.77 140.86 1.01 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 110.25 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 54.95 24.38 5.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.718 ' HA2' ' HB1' ' A' ' 115' ' ' ALA . . . 74.02 35.27 54.13 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.567 1.167 . . . . 0.0 110.944 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.3 m -137.69 128.45 27.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 0.775 . . . . 0.0 109.996 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.695 HD11 ' SG ' ' A' ' 37' ' ' CYS . 32.8 tp -92.8 112.23 24.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -104.09 148.81 16.98 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.534 1.146 . . . . 0.0 111.042 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.542 ' HB3' HG11 ' A' ' 35' ' ' VAL . 42.3 m-85 -110.58 133.6 53.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 0.79 . . . . 0.0 110.974 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.433 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 33.6 m-85 -141.57 153.15 44.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.423 1.077 . . . . 0.0 111.034 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.0 tptt -44.94 -65.65 0.5 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.472 ' HA ' ' CE ' ' A' ' 13' ' ' MET . 0.2 OUTLIER -151.04 -175.82 5.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 109.327 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.682 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . . . -62.75 -13.56 34.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.437 ' HD2' ' N ' ' A' ' 51' ' ' LYS . 11.5 mptt -82.75 -19.54 37.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.402 ' HB1' ' O ' ' A' ' 57' ' ' VAL . . . -97.55 -26.95 14.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.64 -31.14 70.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.37 -44.73 15.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.021 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.29 -5.96 42.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 63.09 32.94 85.85 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.483 1.114 . . . . 0.0 111.029 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.402 ' O ' ' HB1' ' A' ' 52' ' ' ALA . 92.6 t -97.39 119.55 62.7 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.462 0.742 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 134.96 18.54 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.492 1.785 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -45.19 -65.26 0.56 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.943 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -124.81 44.05 2.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.592 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 53.79 20.93 14.28 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.493 1.121 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -84.33 134.99 34.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 0.749 . . . . 0.0 110.261 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -77.65 169.39 21.28 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 141.49 26.67 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.525 1.803 . . . . 0.0 111.011 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 20.7 m -83.75 125.34 40.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.48 124.0 23.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 110.014 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.539 HD11 HD12 ' A' ' 39' ' ' LEU . 6.2 mt -87.64 45.41 1.27 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -83.56 120.16 25.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.3 mtt85 57.9 16.66 3.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.341 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.47 ' O ' HD13 ' A' ' 116' ' ' ILE . . . -80.34 155.56 27.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -125.88 142.19 51.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 110.274 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -127.3 123.95 4.76 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.496 1.123 . . . . 0.0 111.0 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.443 ' O ' ' N ' ' A' ' 86' ' ' LYS . 11.6 t -136.39 160.99 37.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 110.027 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.76 HG22 ' HE3' ' A' ' 105' ' ' MET . 69.1 t -70.37 157.02 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -102.16 66.56 1.02 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -52.61 -46.55 67.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.991 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 78' ' ' TYR . 1.3 m-20 -41.33 -62.44 0.85 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.261 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.518 ' CD2' HG11 ' A' ' 84' ' ' VAL . 0.1 OUTLIER -37.27 98.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 110.956 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.19 -13.61 26.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.269 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.0 mttt -77.29 -81.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.501 ' HB2' ' CE1' ' A' ' 78' ' ' TYR . 0.9 OUTLIER -67.78 -177.71 0.83 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.344 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 20.5 mttt -136.75 158.98 43.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 52.43 66.7 1.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.609 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.518 HG11 ' CD2' ' A' ' 78' ' ' TYR . 91.9 t -133.65 138.18 51.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.589 ' CZ ' ' HB2' ' A' ' 97' ' ' PHE . 4.8 p90 -130.67 144.37 51.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 111.006 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.541 ' HE2' HD21 ' A' ' 96' ' ' LEU . 6.4 ttmt -97.06 128.8 44.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.573 HD13 HG11 ' A' ' 112' ' ' VAL . 68.2 tp -107.29 101.42 10.8 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.145 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -93.62 114.58 4.75 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.561 1.163 . . . . 0.0 110.995 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.479 ' HB2' ' CB ' ' A' ' 93' ' ' LYS . 5.6 mt -75.0 175.85 7.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 0.764 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -83.68 -14.98 50.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.311 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -104.29 43.54 1.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.325 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 50.06 36.67 28.43 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.486 1.116 . . . . 0.0 111.035 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.479 ' CB ' ' HB2' ' A' ' 89' ' ' LEU . 0.2 OUTLIER -106.86 98.14 7.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 0.778 . . . . 0.0 109.269 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -98.84 138.47 35.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.232 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.6 ' CE1' ' OE1' ' A' ' 18' ' ' GLN . 46.2 m-85 -134.39 151.37 51.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.975 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.541 HD21 ' HE2' ' A' ' 86' ' ' LYS . 15.0 mt -116.16 124.78 51.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.618 ' HB3' HD23 ' A' ' 14' ' ' LEU . 98.5 m-85 -127.43 127.02 43.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 110.965 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.46 ' HG3' HG22 ' A' ' 84' ' ' VAL . 32.1 tt0 -103.95 112.0 24.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.254 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.425 ' HA ' HD11 ' A' ' 14' ' ' LEU . . . -79.86 178.38 8.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.1 ptpp? -78.23 -38.19 43.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -157.14 -176.37 5.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -56.94 -41.36 78.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 110.256 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.81 -71.55 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 109.321 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -41.59 -43.45 2.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.76 ' HE3' HG22 ' A' ' 74' ' ' VAL . 15.7 ttp -66.59 -68.07 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.933 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -41.43 -47.22 3.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.984 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.767 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.3 OUTLIER -55.65 -56.03 25.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.002 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.567 ' CH2' ' HB3' ' A' ' 37' ' ' CYS . 26.4 m95 -43.41 -64.2 0.69 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 0.0 107.999 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.581 HD21 ' CG ' ' A' ' 85' ' ' PHE . 1.1 mm? -44.02 -51.08 8.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.405 ' HB3' ' O ' ' A' ' 107' ' ' SER . 43.8 ttt180 -56.58 -36.22 69.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 110.288 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 1.047 HG12 HD22 ' A' ' 39' ' ' LEU . 21.3 t -78.11 -60.08 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.573 HG11 HD13 ' A' ' 87' ' ' LEU . 94.3 t -46.44 -38.26 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -71.36 -36.85 71.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 111' ' ' VAL . . . -69.14 -16.37 63.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.718 ' HB1' ' HA2' ' A' ' 42' ' ' GLY . . . -93.03 -47.46 6.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.47 HD13 ' O ' ' A' ' 70' ' ' ALA . 30.6 mt -52.33 -60.27 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -50.32 -63.29 1.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 119' ' ' GLY . 0.4 OUTLIER -52.42 101.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.984 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 118' ' ' SER . . . -35.87 130.51 0.81 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.489 1.118 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 176.94 9.24 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.469 1.773 . . . . 0.0 111.069 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.6 t -90.78 131.92 36.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.017 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 10.2 p -80.01 126.42 31.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.026 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.468 1.105 . . . . 0.0 111.025 -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.94 167.75 29.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 0.764 . . . . 0.0 109.989 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 m -112.39 168.26 9.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.975 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.37 -132.77 2.48 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.465 1.103 . . . . 0.0 111.016 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.9 m 61.31 76.69 0.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 110.007 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.53 150.97 0.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.946 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.64 -154.29 24.32 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.482 1.114 . . . . 0.0 111.013 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -87.37 103.69 15.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 0.761 . . . . 0.0 110.307 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.457 ' HA ' HD23 ' A' ' 39' ' ' LEU . 4.2 mt-30 -104.26 151.58 23.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.606 ' HE1' ' CD1' ' A' ' 108' ' ' TRP . 6.7 ttt -153.5 128.31 9.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.957 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.453 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 11.8 pt-20 -144.66 123.01 12.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 110.339 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.47 160.87 34.57 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.491 1.119 . . . . 0.0 111.019 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.729 ' O ' HD12 ' A' ' 14' ' ' LEU . 2.2 mmt -58.78 124.82 21.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 0.763 . . . . 0.0 110.971 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.883 HD23 ' HB3' ' A' ' 97' ' ' PHE . 1.5 mp -145.22 154.74 42.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 97' ' ' PHE . 0.5 OUTLIER -97.77 96.3 8.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 108.307 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.571 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 8.4 ttp180 -88.04 118.56 27.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.317 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.423 ' HD2' ' NE1' ' A' ' 32' ' ' TRP . 5.4 tttt -120.97 100.73 7.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.47 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 44.2 tt0 -67.1 110.02 3.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.286 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -85.39 -55.95 3.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.266 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.488 ' CE ' ' O ' ' A' ' 25' ' ' LYS . 86.6 mmm -121.34 160.48 23.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 111.069 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.533 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 5.9 tt0 -110.78 -12.34 14.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.533 ' HB2' ' O ' ' A' ' 21' ' ' GLU . . . 173.58 173.47 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -46.72 117.87 1.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 0.0 110.995 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 58.14 16.13 25.09 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.488 ' O ' ' CE ' ' A' ' 20' ' ' MET . 0.0 OUTLIER -103.5 126.9 50.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 0.749 . . . . 0.0 109.274 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.71 138.07 32.3 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 109.348 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.47 ' CB ' ' HG2' ' A' ' 18' ' ' GLN . . . -79.31 138.21 37.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.03 -71.15 0.09 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.46 1.1 . . . . 0.0 109.35 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -112.06 128.76 56.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.333 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.6 mtm180 -119.12 58.78 0.85 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.271 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.5 m -108.23 161.05 15.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.958 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.423 ' NE1' ' HD2' ' A' ' 17' ' ' LYS . 87.5 m95 -82.44 128.64 34.46 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.45 ' O ' HG23 ' A' ' 35' ' ' VAL . 46.1 mt-30 -142.38 137.25 30.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.264 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 13.8 p-10 -68.18 104.3 1.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.49 ' CG1' ' HB3' ' A' ' 46' ' ' PHE . 24.0 t -126.75 122.02 59.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.558 ' CE1' ' HB2' ' A' ' 50' ' ' ALA . 56.5 t80 -72.19 112.42 8.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 111.039 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.726 ' SG ' HD11 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -76.23 131.62 39.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 108.276 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 83.9 t -129.62 105.35 12.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.331 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 1.075 HD22 HG12 ' A' ' 111' ' ' VAL . 0.8 OUTLIER -95.73 135.94 36.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -172.32 144.52 1.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.092 . . . . 0.0 110.313 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.89 20.46 1.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 110.301 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.73 ' HA2' ' HB1' ' A' ' 115' ' ' ALA . . . 78.22 31.67 46.26 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.466 1.104 . . . . 0.0 111.014 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 95.3 p -134.0 132.61 40.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 0.78 . . . . 0.0 110.051 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.726 HD11 ' SG ' ' A' ' 37' ' ' CYS . 36.8 tp -94.91 111.5 23.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -101.09 155.83 19.16 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.502 1.127 . . . . 0.0 110.978 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.574 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 41.5 m-85 -118.85 140.14 50.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 0.759 . . . . 0.0 110.997 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.574 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 25.6 m-85 -148.0 166.47 27.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.988 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.3 ttpm? -58.17 -60.04 4.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.565 ' H ' ' HB3' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -153.49 -175.88 5.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.558 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . . . -65.06 -18.48 65.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.8 mmtp -84.78 -18.33 35.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.565 ' HB3' ' H ' ' A' ' 49' ' ' ASP . . . -95.35 -19.92 19.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.45 -43.59 22.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 109.286 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.7 t -69.53 -27.27 65.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.987 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.1 -4.26 58.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.294 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 64.06 30.3 77.38 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.523 1.139 . . . . 0.0 111.016 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 58.2 t -97.96 116.46 65.67 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.506 0.768 . . . . 0.0 109.294 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 139.82 24.54 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.487 1.782 . . . . 0.0 110.962 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -47.55 -65.48 0.56 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 111.03 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.5 ' CB ' ' OE2' ' A' ' 62' ' ' GLU . 10.5 m170 -123.28 22.98 9.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.578 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.33 -8.89 59.9 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.484 1.115 . . . . 0.0 111.051 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.5 ' OE2' ' CB ' ' A' ' 60' ' ' HIS . 0.0 OUTLIER -49.85 160.34 0.32 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.488 0.758 . . . . 0.0 110.26 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -104.44 168.77 8.05 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 137.97 22.4 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.521 1.801 . . . . 0.0 111.023 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.484 ' HB ' ' CD1' ' A' ' 89' ' ' LEU . 28.8 m -83.14 132.64 30.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 89.3 p -75.06 127.53 33.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.988 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.612 HD11 HD12 ' A' ' 39' ' ' LEU . 7.0 mt -92.6 30.34 1.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -78.19 114.09 16.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 66.46 21.28 10.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.09 . . . . 0.0 110.324 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.27 168.94 17.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 1.15 . . . . 0.0 109.32 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.494 ' O ' HD12 ' A' ' 87' ' ' LEU . 6.7 pt20 -125.77 135.59 52.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.268 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -130.09 109.13 0.9 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.506 1.129 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 75.1 m -136.48 160.64 38.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 0.764 . . . . 0.0 109.981 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.885 HG22 ' HE3' ' A' ' 105' ' ' MET . 91.7 t -68.91 158.62 5.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 84' ' ' VAL . . . -105.76 53.41 0.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -43.95 -38.23 3.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 111.008 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.03 -47.74 71.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.41 ' OH ' ' CZ2' ' A' ' 32' ' ' TRP . 2.5 t80 -62.77 114.83 3.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.18 -23.21 12.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.58 -68.36 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 7.6 mpt_? -96.26 154.81 17.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 110.274 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.475 ' C ' ' CG ' ' A' ' 83' ' ' HIS . 27.1 mttm -99.42 150.1 22.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.475 ' CG ' ' C ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER 58.32 68.46 0.83 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.581 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.469 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 72.6 t -132.09 127.01 57.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.611 ' CG ' HD21 ' A' ' 109' ' ' LEU . 11.8 p90 -122.76 142.67 50.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.996 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.443 ' HA ' HD23 ' A' ' 96' ' ' LEU . 27.0 ttmt -89.19 149.53 23.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.251 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.494 HD12 ' O ' ' A' ' 71' ' ' GLN . 50.0 tp -134.03 99.22 4.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -98.35 114.65 5.07 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.484 ' CD1' ' HB ' ' A' ' 65' ' ' VAL . 6.2 mt -76.84 170.16 16.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 0.757 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -75.25 -15.35 60.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.316 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.01 11.34 18.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.097 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 76.35 22.81 72.38 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.524 1.14 . . . . 0.0 110.968 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -92.58 114.2 26.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 0.775 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -107.19 125.22 50.82 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.118 . . . . 0.0 110.263 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -124.84 159.99 29.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.443 HD23 ' HA ' ' A' ' 86' ' ' LYS . 60.1 mt -130.58 118.67 21.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.883 ' HB3' HD23 ' A' ' 14' ' ' LEU . 92.9 m-85 -119.17 129.78 55.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.944 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -101.54 109.97 21.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.32 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.642 ' HA ' HD11 ' A' ' 14' ' ' LEU . . . -71.27 174.14 6.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.329 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.408 ' O ' ' CG ' ' A' ' 101' ' ' ASP . 1.5 pttt -79.06 -24.63 43.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.408 ' CG ' ' O ' ' A' ' 100' ' ' LYS . 7.1 m-20 -171.43 -175.99 1.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -55.83 -46.24 78.17 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.137 . . . . 0.0 110.291 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 104' ' ' GLU . . . -55.21 -71.39 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.425 1.078 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 103' ' ' ALA . 0.8 OUTLIER -38.77 -45.02 1.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.321 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.885 ' HE3' HG22 ' A' ' 74' ' ' VAL . 12.9 ttp -63.5 -68.03 0.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.64 -45.4 4.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 110.01 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.916 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.3 OUTLIER -56.26 -52.71 63.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.142 . . . . 0.0 109.997 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.606 ' CD1' ' HE1' ' A' ' 10' ' ' MET . 38.0 m95 -48.13 -67.45 0.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 107.945 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.611 HD21 ' CG ' ' A' ' 85' ' ' PHE . 1.3 mm? -40.34 -50.72 2.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 4.5 ttm180 -57.08 -42.13 80.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.538 1.149 . . . . 0.0 110.298 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 1.075 HG12 HD22 ' A' ' 39' ' ' LEU . 16.7 t -72.9 -60.19 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 108' ' ' TRP . 79.6 t -46.16 -38.39 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.288 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.407 ' ND2' ' O ' ' A' ' 109' ' ' LEU . 16.9 m-80 -71.07 -37.39 72.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 109.334 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 111' ' ' VAL . . . -69.22 -15.7 63.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.73 ' HB1' ' HA2' ' A' ' 42' ' ' GLY . . . -93.34 -44.59 8.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.135 . . . . 0.0 109.336 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 49.8 mt -55.35 -59.62 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -49.7 -62.92 1.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -44.29 -56.71 3.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.992 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 86.6 154.19 24.78 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.459 1.1 . . . . 0.0 110.956 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 71.9 4.86 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.542 1.812 . . . . 0.0 110.996 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 4.9 t -86.46 155.79 20.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.017 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.1 m -133.74 -61.12 0.81 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.992 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 O-C-N 124.468 1.105 . . . . 0.0 111.026 179.974 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -155.77 116.08 3.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.481 0.754 . . . . 0.0 109.985 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.9 m -152.9 114.78 4.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.993 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.69 108.61 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.479 1.112 . . . . 0.0 110.963 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 m -107.21 -59.58 1.8 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 0.796 . . . . 0.0 109.978 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -78.82 117.17 19.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 109.994 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.405 ' O ' ' NE2' ' A' ' 9' ' ' GLN . . . 133.97 160.85 9.43 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -104.99 106.87 17.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 0.763 . . . . 0.0 110.327 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.63 ' HA ' HD23 ' A' ' 39' ' ' LEU . 6.2 mp0 -95.28 148.9 21.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.291 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.696 ' HB2' HG11 ' A' ' 111' ' ' VAL . 4.2 ttt -147.97 133.7 18.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.457 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 6.4 pt-20 -145.49 131.32 19.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.574 1.171 . . . . 0.0 110.329 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -172.18 153.44 19.33 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.465 1.103 . . . . 0.0 111.021 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.45 ' O ' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -61.45 111.86 1.96 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 0.745 . . . . 0.0 110.993 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.644 HD23 ' HB3' ' A' ' 97' ' ' PHE . 1.3 mp -128.33 155.16 45.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.425 ' O ' ' O ' ' A' ' 96' ' ' LEU . 0.1 OUTLIER -92.49 95.41 9.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 0.0 108.3 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.567 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 15.3 ttp180 -88.75 121.95 31.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -124.28 108.18 11.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.257 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.556 ' HG2' ' HB1' ' A' ' 27' ' ' ALA . 2.6 tt0 -69.28 118.34 12.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.441 ' O ' ' NE ' ' A' ' 30' ' ' ARG . 4.3 mm-40 -102.02 -55.85 2.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.113 . . . . 0.0 110.299 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 89.3 mmm -121.55 155.34 35.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.468 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 11.7 tt0 -114.15 -11.26 12.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 110.311 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.551 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . . . 177.14 169.9 0.56 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.311 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -50.21 109.54 0.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 111.022 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.41 -1.01 58.65 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.499 1.124 . . . . 0.0 110.988 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.551 ' HB3' ' HB3' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -89.35 119.7 30.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 0.765 . . . . 0.0 109.305 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.2 140.23 29.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 109.328 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.556 ' HB1' ' HG2' ' A' ' 18' ' ' GLN . . . -76.03 127.66 33.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 27' ' ' ALA . . . -39.77 -63.72 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -114.62 119.81 38.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 109.352 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.441 ' NE ' ' O ' ' A' ' 19' ' ' GLU . 12.4 mtp180 -114.29 66.32 0.67 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.56 1.163 . . . . 0.0 110.282 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.6 m -109.01 166.08 11.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.424 1.078 . . . . 0.0 110.046 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.432 ' CH2' ' HB3' ' A' ' 96' ' ' LEU . 73.1 m95 -91.95 129.86 37.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 108.013 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.499 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.6 mt-30 -147.04 124.53 11.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 110.309 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -62.41 103.8 0.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 33' ' ' GLN . 87.7 t -118.93 127.09 75.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.598 ' CE1' ' HB2' ' A' ' 50' ' ' ALA . 7.2 t80 -70.19 108.31 4.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.112 . . . . 0.0 110.987 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.604 ' SG ' ' CE1' ' A' ' 97' ' ' PHE . 0.5 OUTLIER -77.66 130.17 36.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.154 . . . . 0.0 108.325 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 44.4 t -127.89 105.32 13.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.855 HD22 HG12 ' A' ' 111' ' ' VAL . 0.6 OUTLIER -101.23 142.49 32.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.475 ' O ' ' N ' ' A' ' 42' ' ' GLY . 3.0 tpt180 -134.54 -149.19 0.34 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 110.328 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 33.1 ttt180 -64.21 72.77 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 40' ' ' ARG . . . 72.51 56.12 6.31 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.506 1.129 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.431 ' O ' ' HA ' ' A' ' 39' ' ' LEU . 64.8 p -160.44 166.39 29.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 0.746 . . . . 0.0 109.951 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.522 HD11 ' SG ' ' A' ' 37' ' ' CYS . 30.3 tp -150.49 101.14 2.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -103.27 145.92 16.37 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.466 1.104 . . . . 0.0 111.026 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.528 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 62.1 m-85 -104.27 144.82 31.1 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 0.779 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.528 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 20.6 m-85 -144.47 146.05 32.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.545 ' HA ' ' CD2' ' A' ' 59' ' ' TYR . 17.9 ttpt -37.47 -63.46 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.242 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 48' ' ' LYS . 7.4 m-20 -156.34 -175.55 5.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.157 . . . . 0.0 109.331 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.598 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . . . -63.31 -13.7 41.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.0 mmtm -82.86 -25.3 32.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.254 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -90.4 -31.25 16.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.6 -46.4 82.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.4 t -64.64 -29.82 70.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.964 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.481 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -92.48 6.91 45.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.256 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 50.73 39.86 39.75 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.504 1.127 . . . . 0.0 111.031 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 55' ' ' ALA . 93.0 t -107.05 116.58 58.22 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.551 0.795 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 140.46 25.53 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.442 1.759 . . . . 0.0 110.968 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.545 ' CD2' ' HA ' ' A' ' 48' ' ' LYS . 0.4 OUTLIER -65.28 113.72 4.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 110.98 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 11.4 m170 57.91 16.67 3.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.625 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 72.13 42.02 52.25 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.493 1.12 . . . . 0.0 110.997 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -87.68 120.64 29.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 0.74 . . . . 0.0 110.298 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -71.23 164.7 54.94 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 161.23 39.18 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.498 1.789 . . . . 0.0 111.035 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.434 HG22 ' O ' ' A' ' 44' ' ' LEU . 19.1 m -109.56 123.02 65.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.9 m -69.89 124.98 25.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.984 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.586 HD11 HD12 ' A' ' 39' ' ' LEU . 14.0 mt -86.01 47.61 1.48 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -85.01 106.37 16.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 13.0 mtm180 70.39 16.12 7.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 110.255 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.725 ' O ' HD13 ' A' ' 116' ' ' ILE . . . -80.88 150.75 28.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -132.17 150.39 52.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 110.284 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -134.32 130.92 5.73 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.508 1.13 . . . . 0.0 110.973 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 86' ' ' LYS . 1.5 t -137.21 154.0 50.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 0.755 . . . . 0.0 109.997 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.716 HG22 ' CE ' ' A' ' 105' ' ' MET . 73.8 t -62.53 145.86 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -92.12 57.34 3.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -43.02 -45.52 5.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.428 1.08 . . . . 0.0 110.992 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -46.55 -62.76 1.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.419 ' OH ' ' CZ2' ' A' ' 32' ' ' TRP . 0.7 OUTLIER -44.95 160.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 111.026 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.2 -45.49 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.265 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.42 -62.97 0.69 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.424 ' HB2' HG21 ' A' ' 84' ' ' VAL . 69.9 mtt-85 -92.23 124.84 36.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.331 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 25.2 mtpt -80.05 155.26 27.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 52.83 68.05 0.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.122 . . . . 0.0 109.568 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.424 HG21 ' HB2' ' A' ' 81' ' ' ARG . 92.2 t -128.02 131.52 69.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.251 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.58 ' CZ ' ' HB2' ' A' ' 97' ' ' PHE . 6.2 p90 -127.45 145.01 50.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 1.144 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.452 ' CD ' ' HG2' ' A' ' 94' ' ' GLU . 14.7 ttmt -94.64 134.07 37.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.557 HD13 HG11 ' A' ' 112' ' ' VAL . 57.2 tp -116.67 105.43 12.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -98.26 115.82 5.39 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.47 1.107 . . . . 0.0 111.002 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 5.6 mt -76.05 -174.93 2.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 0.735 . . . . 0.0 109.322 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -88.5 -22.7 23.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.563 1.164 . . . . 0.0 110.316 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -92.17 35.3 1.0 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 109.271 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 55.28 38.63 68.89 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.556 1.16 . . . . 0.0 111.016 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.78 105.64 15.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 0.775 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.452 ' HG2' ' CD ' ' A' ' 86' ' ' LYS . 0.6 OUTLIER -105.11 125.09 50.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.287 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -120.27 163.52 17.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 111.016 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.432 ' HB3' ' CH2' ' A' ' 32' ' ' TRP . 20.3 mt -128.43 116.19 19.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.16 . . . . 0.0 109.307 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.644 ' HB3' HD23 ' A' ' 14' ' ' LEU . 93.1 m-85 -116.97 138.23 51.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 110.97 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -114.34 107.05 15.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.322 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.618 ' HA ' HD11 ' A' ' 14' ' ' LEU . . . -70.7 176.34 4.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.327 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 8.5 pttt -79.76 -33.88 40.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -157.82 -175.84 5.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.32 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -60.16 -36.55 77.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.57 1.169 . . . . 0.0 110.264 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.96 -71.69 0.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.145 . . . . 0.0 109.269 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -38.58 -45.25 1.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 110.333 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.716 ' CE ' HG22 ' A' ' 74' ' ' VAL . 17.2 ttp -64.35 -67.65 0.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 110.982 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -40.02 -47.53 2.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.014 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.884 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.3 OUTLIER -56.08 -55.17 36.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.993 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.525 ' CD2' ' HG2' ' A' ' 10' ' ' MET . 36.1 m95 -43.53 -68.23 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 108.038 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.576 HD21 ' CG ' ' A' ' 85' ' ' PHE . 2.0 mm? -40.15 -51.93 2.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.407 ' HB3' ' O ' ' A' ' 107' ' ' SER . 35.6 ttp180 -57.05 -42.83 81.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.884 HG23 ' O ' ' A' ' 107' ' ' SER . 12.7 t -70.29 -60.11 2.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.557 HG11 HD13 ' A' ' 87' ' ' LEU . 71.6 t -44.71 -39.01 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -71.18 -38.42 72.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 111' ' ' VAL . . . -71.96 -21.5 61.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.661 ' HB2' HD21 ' A' ' 39' ' ' LEU . . . -85.11 -43.37 13.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.248 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.725 HD13 ' O ' ' A' ' 70' ' ' ALA . 22.1 mt -57.59 -60.74 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -45.61 -57.96 3.79 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.558 1.161 . . . . 0.0 109.263 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.3 t -46.02 -54.3 8.66 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.126 . . . . 0.0 109.997 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 101.98 158.46 26.4 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.557 1.161 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 86.93 1.36 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.435 1.755 . . . . 0.0 110.959 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 8.3 m 49.78 90.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.005 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 12.1 p -123.3 97.75 5.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.019 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.477 1.111 . . . . 0.0 110.996 -179.985 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.057 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.0 t 61.25 170.3 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 0.781 . . . . 0.0 110.006 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.1 m -137.57 -57.78 0.69 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.994 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.67 178.17 51.11 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.53 1.144 . . . . 0.0 110.991 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.8 p -72.98 165.77 24.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 0.759 . . . . 0.0 109.99 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.9 m 54.45 170.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 110.0 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.37 -176.09 29.03 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.502 1.126 . . . . 0.0 110.978 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.424 ' OE2' ' NH1' ' A' ' 110' ' ' ARG . 3.4 mt-10 -100.14 102.16 13.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 0.76 . . . . 0.0 110.257 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -97.51 149.52 22.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.273 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.659 ' CB ' HG11 ' A' ' 111' ' ' VAL . 5.0 ttt -152.97 132.14 12.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 111.029 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.429 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 1.3 pm0 -148.28 130.18 15.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -172.47 160.75 32.11 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.472 1.107 . . . . 0.0 111.039 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.699 ' O ' HD12 ' A' ' 14' ' ' LEU . 1.5 mmt -61.12 122.73 15.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.562 0.801 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.816 HD23 ' HB3' ' A' ' 97' ' ' PHE . 1.5 mp -142.51 154.22 44.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.422 ' O ' ' O ' ' A' ' 96' ' ' LEU . 0.1 OUTLIER -94.54 95.78 9.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.122 . . . . 0.0 108.281 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.486 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 9.3 ttp180 -89.65 119.5 30.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.332 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.413 ' O ' ' CD ' ' A' ' 19' ' ' GLU . 5.2 tttt -124.62 108.7 12.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.794 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 54.1 tt0 -68.27 110.6 4.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.3 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.413 ' CD ' ' O ' ' A' ' 17' ' ' LYS . 26.7 mp0 -84.4 -60.07 2.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.133 . . . . 0.0 110.333 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 80.2 mmm -122.63 150.2 42.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.981 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.545 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 8.7 tt0 -103.35 -11.33 17.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.283 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.545 ' HB2' ' O ' ' A' ' 21' ' ' GLU . . . 172.91 164.69 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -45.81 108.75 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 111.039 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 88.65 -34.38 3.89 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.542 1.151 . . . . 0.0 111.0 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.402 ' CE ' ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -74.21 127.9 34.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 0.759 . . . . 0.0 109.347 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.402 ' O ' ' CE ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -109.71 138.56 45.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.794 ' HB2' ' HG2' ' A' ' 18' ' ' GLN . . . -55.1 119.86 6.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.56 -54.2 2.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -106.77 118.9 37.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.322 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 50.6 mtm180 -115.53 72.56 0.8 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 110.308 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.405 ' O ' ' OE1' ' A' ' 33' ' ' GLN . 0.1 OUTLIER -120.27 159.1 25.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.016 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 75.3 m95 -88.18 132.05 34.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 108.008 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.535 ' O ' HG23 ' A' ' 35' ' ' VAL . 6.3 mp0 -146.12 129.53 16.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.294 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -66.31 103.85 1.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.445 1.091 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.569 HG11 ' HB3' ' A' ' 46' ' ' PHE . 41.6 t -119.52 125.1 74.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.555 ' CE2' ' HA ' ' A' ' 50' ' ' ALA . 14.1 t80 -69.26 108.05 3.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.604 ' SG ' HD11 ' A' ' 44' ' ' LEU . 0.5 OUTLIER -75.56 129.16 36.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 108.287 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 97.6 t -129.34 105.35 12.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.947 HD22 HG12 ' A' ' 111' ' ' VAL . 0.8 OUTLIER -95.81 136.07 36.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -168.67 148.77 4.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.346 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 42.62 29.8 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.328 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.67 ' HA2' ' HB1' ' A' ' 115' ' ' ALA . . . 69.38 50.93 29.33 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 58.3 p -153.46 125.25 7.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 0.768 . . . . 0.0 109.993 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.604 HD11 ' SG ' ' A' ' 37' ' ' CYS . 27.5 tp -90.24 109.4 20.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -99.73 147.44 18.25 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.493 1.121 . . . . 0.0 111.013 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.569 ' HB3' HG11 ' A' ' 35' ' ' VAL . 41.7 m-85 -111.58 138.24 48.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 0.771 . . . . 0.0 110.971 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.456 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 56.7 m-85 -147.15 164.29 33.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 110.994 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.54 -60.82 2.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.551 ' H ' ' HB3' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -154.7 -177.97 6.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.555 ' HA ' ' CE2' ' A' ' 36' ' ' TYR . . . -62.71 -19.0 63.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 109.297 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.19 -17.7 39.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.331 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.551 ' HB3' ' H ' ' A' ' 49' ' ' ASP . . . -94.52 -35.14 12.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.484 ' HB2' ' HD2' ' A' ' 36' ' ' TYR . . . -65.63 -40.33 92.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.91 -36.86 80.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.042 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -83.1 1.68 39.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 58.12 37.12 85.02 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.454 1.096 . . . . 0.0 111.014 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.7 t -101.14 116.42 63.92 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.484 0.755 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 132.66 15.61 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.505 1.792 . . . . 0.0 110.986 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -44.66 -64.13 0.76 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 111.016 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -124.85 47.39 2.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.128 . . . . 0.0 109.596 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 50.31 23.48 6.1 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.467 1.105 . . . . 0.0 110.98 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -83.82 158.0 21.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 0.747 . . . . 0.0 110.325 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -102.67 168.79 8.35 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 140.35 25.37 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.518 1.799 . . . . 0.0 111.023 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.41 ' HB ' HD11 ' A' ' 89' ' ' LEU . 4.1 m -86.61 124.96 40.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.1 p -68.83 127.96 34.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.947 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.517 HD11 HD12 ' A' ' 39' ' ' LEU . 5.3 mt -92.14 37.75 0.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -86.68 118.28 25.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 109.331 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 64.45 26.39 13.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 110.28 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -93.55 169.55 10.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.41 ' O ' HD12 ' A' ' 87' ' ' LEU . 4.2 mm-40 -131.83 140.0 49.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -130.29 117.64 2.33 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.536 1.147 . . . . 0.0 110.997 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 86' ' ' LYS . 15.4 t -134.71 161.39 35.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 0.781 . . . . 0.0 109.994 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.732 HG22 ' HE3' ' A' ' 105' ' ' MET . 53.5 t -70.99 158.86 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -107.7 71.6 0.82 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.368 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -58.71 -44.16 90.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 111.01 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -40.67 -62.6 0.76 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.487 ' CZ ' ' HB2' ' A' ' 81' ' ' ARG . 0.1 OUTLIER -38.45 120.58 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 111.002 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.58 -46.72 4.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.56 -84.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 109.363 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.487 ' HB2' ' CZ ' ' A' ' 78' ' ' TYR . 10.6 mtt85 -65.37 145.75 55.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.309 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.661 ' O ' HG23 ' A' ' 84' ' ' VAL . 10.6 mttt -111.37 172.62 6.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.404 ' HA ' ' SD ' ' A' ' 105' ' ' MET . 0.1 OUTLIER 44.38 63.67 1.58 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.547 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 82' ' ' LYS . 97.0 t -132.09 138.34 52.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.364 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.619 ' CG ' HD21 ' A' ' 109' ' ' LEU . 4.9 p90 -127.67 149.58 50.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 0.0 110.958 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.408 ' N ' ' O ' ' A' ' 73' ' ' SER . 20.9 ttmt -99.45 138.23 36.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.41 HD12 ' O ' ' A' ' 71' ' ' GLN . 42.0 tp -121.8 107.3 12.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -107.05 114.81 4.44 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.483 1.114 . . . . 0.0 110.986 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.529 HD23 ' N ' ' A' ' 89' ' ' LEU . 4.4 mt -76.27 176.27 8.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.572 0.807 . . . . 0.0 109.26 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -81.07 -16.02 54.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.452 1.095 . . . . 0.0 110.256 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -86.93 11.14 14.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 74.69 26.97 66.02 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.531 1.144 . . . . 0.0 110.996 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -98.77 114.06 26.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 0.756 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -107.1 134.72 49.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.342 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -133.38 153.16 51.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 111.023 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.422 ' O ' ' O ' ' A' ' 15' ' ' CYS . 33.6 mt -120.4 123.31 42.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.816 ' HB3' HD23 ' A' ' 14' ' ' LEU . 98.7 m-85 -122.07 128.36 51.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.98 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.482 ' HA ' HG22 ' A' ' 84' ' ' VAL . 31.2 tt0 -102.48 111.56 23.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.454 1.096 . . . . 0.0 110.356 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.646 ' HA ' HD11 ' A' ' 14' ' ' LEU . . . -75.34 177.18 6.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 101' ' ' ASP . 0.0 OUTLIER -82.06 -25.72 34.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 109.252 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.42 ' N ' ' HG3' ' A' ' 100' ' ' LYS . 7.0 m-20 -170.15 -176.13 2.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -55.32 -46.75 76.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.318 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.16 -71.7 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -38.74 -45.86 1.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.323 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.732 ' HE3' HG22 ' A' ' 74' ' ' VAL . 13.5 ttp -63.97 -68.18 0.37 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -43.21 -45.7 5.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.138 . . . . 0.0 110.053 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.846 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.3 OUTLIER -55.2 -55.1 35.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.984 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.561 ' CH2' ' HB3' ' A' ' 37' ' ' CYS . 34.1 m95 -44.63 -64.98 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 108.015 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.619 HD21 ' CG ' ' A' ' 85' ' ' PHE . 1.1 mm? -42.98 -51.73 5.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.413 1.071 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.424 ' NH1' ' OE2' ' A' ' 8' ' ' GLU . 34.6 ttp85 -56.1 -36.64 68.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.332 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.947 HG12 HD22 ' A' ' 39' ' ' LEU . 17.4 t -77.67 -59.77 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.48 ' N ' ' O ' ' A' ' 108' ' ' TRP . 93.4 t -46.33 -38.52 3.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -71.26 -36.47 71.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 111' ' ' VAL . . . -69.87 -15.75 63.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.67 ' HB1' ' HA2' ' A' ' 42' ' ' GLY . . . -93.08 -47.15 7.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 35.3 mt -52.88 -61.25 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 109.334 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -46.98 -63.33 1.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 13.6 t -43.54 -63.49 0.82 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.045 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 98.4 154.03 28.86 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.549 1.156 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 86.01 1.46 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.474 1.776 . . . . 0.0 111.017 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.5 m -117.87 148.44 42.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.98 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 75.4 p -97.48 94.24 6.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 110.025 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.522 1.139 . . . . 0.0 111.01 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.53 102.91 9.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 0.739 . . . . 0.0 110.038 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.58 167.99 1.41 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.117 . . . . 0.0 110.025 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.51 152.96 17.13 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.503 1.127 . . . . 0.0 111.028 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.51 111.94 18.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 0.743 . . . . 0.0 110.05 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.5 p 176.18 111.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.579 1.174 . . . . 0.0 109.979 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.32 166.94 37.78 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.53 1.143 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.449 ' N ' ' OE1' ' A' ' 8' ' ' GLU . 3.4 mp0 -106.19 126.98 52.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 0.782 . . . . 0.0 110.322 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.498 ' HA ' HD23 ' A' ' 39' ' ' LEU . 0.6 OUTLIER -122.87 149.77 43.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.267 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.622 ' HE1' ' CD1' ' A' ' 108' ' ' TRP . 7.2 ttt -155.1 128.9 8.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 110.995 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.464 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 8.7 pt-20 -144.66 123.25 12.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 110.354 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.72 160.74 34.45 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.52 1.137 . . . . 0.0 110.997 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.727 ' O ' HD12 ' A' ' 14' ' ' LEU . 1.8 mmt -59.08 124.54 20.28 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 0.759 . . . . 0.0 111.039 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.827 HD23 ' HB3' ' A' ' 97' ' ' PHE . 1.6 mp -144.12 153.76 42.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.424 ' O ' ' O ' ' A' ' 96' ' ' LEU . 0.1 OUTLIER -96.69 96.41 8.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 108.284 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.576 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 12.6 ttp180 -87.98 109.46 19.84 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 0.0 110.316 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.531 ' HD3' ' CE2' ' A' ' 32' ' ' TRP . 0.1 OUTLIER -116.29 99.93 7.55 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.482 ' HG3' ' CB ' ' A' ' 27' ' ' ALA . 3.5 tp60 -59.91 140.89 56.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.326 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.445 ' N ' ' OE1' ' A' ' 18' ' ' GLN . 4.5 mm-40 -125.23 -54.56 1.59 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 110.324 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.457 ' CE ' ' O ' ' A' ' 25' ' ' LYS . 1.2 mtp -120.84 137.99 54.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 111.001 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.447 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 9.6 tt0 -100.9 -10.17 20.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.623 ' HB3' ' HB3' ' A' ' 25' ' ' LYS . . . 177.66 166.03 0.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.329 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -47.41 104.99 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.77 -18.58 19.8 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.5 1.125 . . . . 0.0 111.01 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.623 ' HB3' ' HB3' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -70.69 116.35 10.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 0.747 . . . . 0.0 109.314 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.88 139.48 31.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.482 ' CB ' ' HG3' ' A' ' 18' ' ' GLN . . . -72.92 130.36 40.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.86 -65.68 0.53 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -112.26 123.22 49.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.7 mtm180 -116.97 63.81 0.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.335 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.8 m -104.36 160.31 15.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.531 ' CE2' ' HD3' ' A' ' 17' ' ' LYS . 87.3 m95 -89.38 131.74 35.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 108.021 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.466 ' O ' HG23 ' A' ' 35' ' ' VAL . 40.3 mt-30 -147.35 137.06 22.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.153 . . . . 0.0 110.28 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -69.32 103.72 2.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.499 1.125 . . . . 0.0 109.316 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.487 ' CG1' ' HB3' ' A' ' 46' ' ' PHE . 22.0 t -122.69 123.72 68.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.254 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.549 ' CE1' ' HB2' ' A' ' 50' ' ' ALA . 48.5 t80 -74.39 111.14 9.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.085 . . . . 0.0 111.007 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.777 ' SG ' HD11 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -76.42 130.61 38.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 108.319 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 72.7 t -127.49 105.78 14.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.297 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 1.043 HD22 HG12 ' A' ' 111' ' ' VAL . 0.6 OUTLIER -99.17 138.52 36.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.3 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.36 145.34 0.25 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.254 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 54.29 19.14 2.1 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.575 1.172 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.597 ' HA2' ' HB1' ' A' ' 115' ' ' ALA . . . 76.76 42.29 21.46 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.486 1.117 . . . . 0.0 110.968 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 76.3 p -146.17 127.76 15.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 0.775 . . . . 0.0 110.031 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.777 HD11 ' SG ' ' A' ' 37' ' ' CYS . 35.3 tp -93.02 112.6 24.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.44 158.08 18.13 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.509 1.131 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.588 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 43.9 m-85 -120.68 138.63 53.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 0.76 . . . . 0.0 110.992 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.588 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 29.5 m-85 -149.58 164.37 35.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.96 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.97 -67.03 0.29 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.477 ' HA ' ' CE ' ' A' ' 13' ' ' MET . 0.6 OUTLIER -151.33 -177.7 6.21 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.549 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . . . -63.11 -13.16 33.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -82.12 -28.02 32.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . -85.8 -48.52 8.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -46.21 -53.8 9.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.6 t -51.41 -47.15 63.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.98 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.44 -34.97 78.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 52' ' ' ALA . . . 92.9 30.54 9.39 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.529 1.143 . . . . 0.0 110.984 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 47.0 t -99.27 123.91 46.9 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.54 0.788 . . . . 0.0 109.332 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 137.32 21.57 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.477 1.777 . . . . 0.0 110.979 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -46.44 -65.53 0.54 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 110.983 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.3 m170 -124.81 50.42 1.74 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.606 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 51.83 20.34 5.99 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -80.02 159.11 26.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 0.748 . . . . 0.0 110.263 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -105.92 168.25 8.51 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 141.28 26.41 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.482 1.78 . . . . 0.0 110.998 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.401 ' HB ' ' CD1' ' A' ' 89' ' ' LEU . 25.2 m -88.51 125.99 41.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.9 p -69.33 129.5 39.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.033 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.698 HD11 HD12 ' A' ' 39' ' ' LEU . 6.9 mt -92.41 27.53 2.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.9 110.53 8.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 7.3 mtm180 69.44 17.93 7.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 110.341 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -78.12 158.61 29.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -116.37 125.66 52.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 0.0 110.325 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -118.74 113.29 2.54 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.535 1.147 . . . . 0.0 110.954 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -137.22 155.92 48.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 0.755 . . . . 0.0 109.992 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.574 HG21 ' CZ ' ' A' ' 76' ' ' PHE . 0.9 OUTLIER -77.53 163.91 3.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.416 ' N ' ' HA ' ' A' ' 85' ' ' PHE . . . -127.07 73.72 1.44 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.574 ' CZ ' HG21 ' A' ' 74' ' ' VAL . 17.3 m-85 -62.94 -33.4 75.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.949 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.64 -50.46 13.37 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.479 1.112 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.564 ' CE2' ' HB2' ' A' ' 81' ' ' ARG . 0.5 OUTLIER -51.24 103.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.997 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.68 -61.25 1.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 110.324 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.5 mtmm -40.68 -87.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.682 ' HB3' HG21 ' A' ' 84' ' ' VAL . 78.5 mtt-85 -65.55 112.99 3.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 110.312 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.763 ' O ' HG23 ' A' ' 84' ' ' VAL . 13.0 mmtt -83.92 171.4 13.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 39.63 60.1 1.69 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.602 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 82' ' ' LYS . 74.4 t -125.01 137.12 58.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.599 ' CG ' HD21 ' A' ' 109' ' ' LEU . 8.6 p90 -126.12 148.59 49.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 111.012 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.9 ttmt -99.5 133.01 44.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 52.4 tp -114.59 110.5 19.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -107.55 114.57 4.29 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.514 1.134 . . . . 0.0 111.019 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.451 HD23 ' N ' ' A' ' 89' ' ' LEU . 6.4 mt -76.0 165.67 24.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 0.786 . . . . 0.0 109.296 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -68.56 -26.76 65.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.301 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -75.49 -3.17 32.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 89.57 26.68 24.47 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.499 1.124 . . . . 0.0 110.964 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.66 108.68 20.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 0.767 . . . . 0.0 109.273 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -101.66 116.67 33.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.33 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -116.03 158.85 22.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 111.006 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.424 ' O ' ' O ' ' A' ' 15' ' ' CYS . 14.4 mt -124.93 119.47 28.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.827 ' HB3' HD23 ' A' ' 14' ' ' LEU . 99.6 m-85 -121.65 124.93 45.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.977 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.568 ' HA ' HG22 ' A' ' 84' ' ' VAL . 31.0 tt0 -99.02 115.36 28.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.44 ' HA ' HD11 ' A' ' 14' ' ' LEU . . . -78.46 176.99 8.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.342 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.0 pttt -83.58 -41.24 18.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -150.16 176.9 10.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -52.03 -45.79 64.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.276 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.02 -67.54 0.26 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -39.39 -47.15 1.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.352 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.445 ' CE ' ' HB ' ' A' ' 74' ' ' VAL . 8.9 ttp -63.3 -68.71 0.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 111.019 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.04 -47.58 4.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.955 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.881 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.3 OUTLIER -54.78 -55.57 28.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.028 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.622 ' CD1' ' HE1' ' A' ' 10' ' ' MET . 27.4 m95 -44.51 -65.99 0.45 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 107.996 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.599 HD21 ' CG ' ' A' ' 85' ' ' PHE . 1.1 mm? -42.64 -52.27 4.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 34.5 ttt180 -55.53 -36.64 66.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.273 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 1.043 HG12 HD22 ' A' ' 39' ' ' LEU . 17.3 t -77.42 -58.17 4.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.414 ' N ' ' O ' ' A' ' 108' ' ' TRP . 97.2 t -48.73 -40.69 11.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -70.05 -37.45 75.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.261 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.406 ' HB1' ' CD ' ' A' ' 8' ' ' GLU . . . -70.27 -15.87 62.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.597 ' HB1' ' HA2' ' A' ' 42' ' ' GLY . . . -92.89 -47.39 7.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 25.5 mt -52.28 -61.71 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -53.35 -61.22 2.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.339 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 119' ' ' GLY . 22.9 m -52.89 100.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 110.028 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 118' ' ' SER . . . -36.3 131.11 0.89 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 169.11 23.36 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.431 1.753 . . . . 0.0 111.014 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 23.6 p -168.02 81.94 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.031 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.15 147.03 1.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.957 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.94 0 O-C-N 124.484 1.115 . . . . 0.0 111.052 179.973 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.55 93.34 2.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 0.748 . . . . 0.0 109.989 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.7 p -160.35 121.44 3.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.988 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.83 -149.91 6.42 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.564 1.165 . . . . 0.0 111.02 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -152.49 143.07 22.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 0.786 . . . . 0.0 109.985 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 62.98 149.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.105 . . . . 0.0 110.004 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.29 -162.81 14.42 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.52 1.138 . . . . 0.0 111.011 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -95.38 103.49 15.36 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.55 0.794 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.459 ' HA ' HD23 ' A' ' 39' ' ' LEU . 1.4 mt-30 -97.06 142.57 28.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 110.278 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.802 ' HB2' HG11 ' A' ' 111' ' ' VAL . 8.7 ttt -140.67 132.9 28.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.496 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 14.4 pt-20 -147.72 122.56 9.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.276 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -168.0 161.11 34.87 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.704 ' O ' HD12 ' A' ' 14' ' ' LEU . 1.6 mmt -59.11 125.93 25.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 0.766 . . . . 0.0 110.988 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.902 HD23 ' HB3' ' A' ' 97' ' ' PHE . 1.4 mp -146.12 156.44 43.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -99.16 96.2 7.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 108.289 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.56 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 7.7 ttp180 -88.14 122.48 31.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.252 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.407 ' HD2' ' NE1' ' A' ' 32' ' ' TRP . 2.3 tttt -124.13 105.95 9.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.484 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 6.2 tt0 -67.82 111.84 4.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.255 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -91.72 -59.46 2.12 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.268 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.429 ' HE3' ' O ' ' A' ' 25' ' ' LYS . 74.7 mmm -118.5 156.06 29.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 111.005 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -113.34 -15.72 12.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 110.325 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.44 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . -175.82 157.19 1.92 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -41.32 108.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 111.011 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.71 -37.27 3.18 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.49 1.119 . . . . 0.0 110.951 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.476 ' CE ' ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -65.21 124.03 21.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 0.768 . . . . 0.0 109.287 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.476 ' O ' ' CE ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -96.61 139.92 31.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.484 ' CB ' ' HG2' ' A' ' 18' ' ' GLN . . . -65.21 130.19 42.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.59 -66.92 0.27 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 31.8 t30 -104.85 124.67 49.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.365 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 77.7 mtm180 -116.8 75.01 0.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.3 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.4 t -120.13 169.31 10.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 110.028 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.512 ' CZ2' ' OH ' ' A' ' 78' ' ' TYR . 71.7 m95 -96.31 135.65 37.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 108.026 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -147.02 135.81 22.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.301 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -69.17 104.06 2.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.478 ' CG1' ' HB3' ' A' ' 46' ' ' PHE . 40.1 t -124.98 127.26 72.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.409 ' CD2' HG23 ' A' ' 38' ' ' VAL . 54.5 t80 -73.86 111.52 9.08 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.424 1.078 . . . . 0.0 111.031 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.768 ' SG ' HD11 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -76.35 129.86 37.24 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 0.0 108.296 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.409 HG23 ' CD2' ' A' ' 36' ' ' TYR . 29.4 t -127.29 104.72 12.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 1.085 HD22 HG12 ' A' ' 111' ' ' VAL . 0.7 OUTLIER -101.62 144.56 30.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 0.0 109.251 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 42' ' ' GLY . 2.3 tpt180 -138.51 -148.86 0.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -66.6 71.43 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.107 . . . . 0.0 110.304 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 40' ' ' ARG . . . 75.41 54.81 5.38 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.451 1.094 . . . . 0.0 111.026 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.441 ' O ' ' HA ' ' A' ' 39' ' ' LEU . 62.0 p -159.79 166.01 31.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 0.77 . . . . 0.0 109.987 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.768 HD11 ' SG ' ' A' ' 37' ' ' CYS . 39.6 tp -151.06 100.33 2.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -97.71 156.36 20.6 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.47 1.106 . . . . 0.0 111.01 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.596 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 66.9 m-85 -114.78 138.51 50.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 0.732 . . . . 0.0 111.015 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.596 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 13.3 m-85 -146.87 157.63 43.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.113 . . . . 0.0 110.964 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -48.59 -68.62 0.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.506 ' HA ' ' HE3' ' A' ' 13' ' ' MET . 0.3 OUTLIER -148.97 -174.47 4.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.405 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . . . -65.46 -11.56 44.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.6 mmtm -80.08 -31.46 39.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -85.38 -41.78 15.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -49.17 -51.96 29.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.6 t -63.94 -26.82 68.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 110.022 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.769 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -92.91 11.55 26.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 42.61 36.13 2.25 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.519 1.137 . . . . 0.0 110.99 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.769 HG23 ' O ' ' A' ' 55' ' ' ALA . 95.0 t -102.55 119.94 54.53 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.445 0.732 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 133.88 17.1 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.483 1.781 . . . . 0.0 110.971 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -46.72 -65.56 0.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 110.99 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -121.51 43.16 2.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.665 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 51.8 24.92 14.35 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.49 1.118 . . . . 0.0 111.017 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -87.28 136.37 32.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.55 0.794 . . . . 0.0 110.279 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 64' ' ' PRO . 0.8 OUTLIER -79.29 170.85 14.31 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.425 ' O ' HG23 ' A' ' 63' ' ' VAL . 18.4 Cg_endo -75.02 159.3 41.45 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.421 1.748 . . . . 0.0 110.994 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.427 ' HB ' ' CD1' ' A' ' 89' ' ' LEU . 24.6 m -104.78 124.1 59.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.353 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.8 m -68.31 127.31 32.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.986 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.717 HD11 HD12 ' A' ' 39' ' ' LEU . 13.4 mt -89.44 43.45 1.15 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.102 . . . . 0.0 109.339 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.414 ' HB3' HE21 ' A' ' 90' ' ' GLN . . . -88.13 118.06 27.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 64.99 21.53 12.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.13 . . . . 0.0 110.27 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.624 ' O ' HD13 ' A' ' 116' ' ' ILE . . . -92.32 165.53 13.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.55 1.156 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.415 ' O ' HD12 ' A' ' 87' ' ' LEU . 1.1 mm-40 -138.84 150.36 45.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.312 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -133.33 120.79 2.66 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.533 1.146 . . . . 0.0 110.998 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 86' ' ' LYS . 32.7 t -137.77 161.6 36.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 0.764 . . . . 0.0 109.986 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.753 HG22 ' CE ' ' A' ' 105' ' ' MET . 46.5 t -65.11 160.85 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.35 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.411 ' N ' HG12 ' A' ' 74' ' ' VAL . . . -113.4 52.24 0.81 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.403 ' O ' ' C ' ' A' ' 77' ' ' ASP . 49.7 m-85 -46.23 -49.99 16.48 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 111.024 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -40.32 -50.71 2.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 109.3 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.512 ' OH ' ' CZ2' ' A' ' 32' ' ' TRP . 5.9 t80 -47.43 119.8 2.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 110.997 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.37 77.64 1.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.357 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.2 mmtt -161.3 -59.22 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.5 mpt_? -106.63 173.29 6.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 110.307 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.506 ' C ' ' CG ' ' A' ' 83' ' ' HIS . 34.0 mttp -116.03 153.96 30.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.506 ' CG ' ' C ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER 59.23 60.21 2.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.552 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 88.6 t -124.76 129.27 73.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.708 ' CG ' HD21 ' A' ' 109' ' ' LEU . 11.9 p90 -128.28 143.59 51.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.949 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 73' ' ' SER . 27.9 ttmt -90.6 141.61 28.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.583 HD13 HG11 ' A' ' 112' ' ' VAL . 45.5 tp -125.0 98.77 5.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.286 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -94.61 114.55 4.84 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.479 1.112 . . . . 0.0 110.958 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.427 ' CD1' ' HB ' ' A' ' 65' ' ' VAL . 4.0 mt -72.67 -169.07 0.51 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 0.761 . . . . 0.0 109.26 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.414 HE21 ' HB3' ' A' ' 68' ' ' ALA . 9.7 pt20 -94.94 -17.66 21.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.285 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -96.07 32.05 2.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.271 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 59.25 30.48 67.62 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.47 1.106 . . . . 0.0 111.028 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.35 106.03 17.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 0.765 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -101.71 138.16 39.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.422 1.076 . . . . 0.0 110.317 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.509 ' HB3' ' CE2' ' A' ' 97' ' ' PHE . 52.5 m-85 -132.89 160.87 35.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 111.039 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 47.2 mt -131.37 112.08 12.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.902 ' HB3' HD23 ' A' ' 14' ' ' LEU . 89.5 m-85 -115.02 125.76 53.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 110.966 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -99.43 112.26 24.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.443 ' HA ' HD11 ' A' ' 14' ' ' LEU . . . -73.29 178.53 4.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.88 -35.03 22.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -153.62 178.7 9.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -57.69 -40.06 78.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.13 . . . . 0.0 110.301 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.93 -66.27 0.55 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -40.18 -49.28 2.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.322 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.753 ' CE ' HG22 ' A' ' 74' ' ' VAL . 3.0 tmm? -61.14 -71.34 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 111.014 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.512 ' N ' ' SD ' ' A' ' 105' ' ' MET . 56.2 p -34.15 -48.47 0.32 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.981 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.813 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.3 OUTLIER -58.95 -55.54 33.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 110.013 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.586 ' O ' HG23 ' A' ' 112' ' ' VAL . 15.3 m95 -44.54 -51.32 9.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 108.026 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.708 HD21 ' CG ' ' A' ' 85' ' ' PHE . 2.8 mm? -56.83 -50.95 70.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 35.1 ttt85 -57.98 -42.24 84.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 110.309 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 1.085 HG12 HD22 ' A' ' 39' ' ' LEU . 16.0 t -69.22 -60.09 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.24 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 108' ' ' TRP . 72.1 t -45.07 -40.3 2.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -70.64 -38.57 73.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 111' ' ' VAL . . . -68.82 -19.08 64.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.732 ' HB2' HD21 ' A' ' 39' ' ' LEU . . . -88.06 -43.02 12.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.097 . . . . 0.0 109.312 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.624 HD13 ' O ' ' A' ' 70' ' ' ALA . 40.8 mt -54.78 -59.16 2.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -48.84 -59.29 3.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.563 1.165 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.03 85.61 0.05 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 0.0 109.987 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -164.1 -142.08 3.3 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.462 1.101 . . . . 0.0 111.015 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 158.77 41.62 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.498 1.789 . . . . 0.0 110.969 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.3 t -84.67 -59.48 2.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 109.971 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -125.7 97.96 5.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.005 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.497 1.123 . . . . 0.0 110.975 -179.992 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.4 m -66.98 -58.6 4.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 0.773 . . . . 0.0 110.008 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.2 m 42.95 84.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.016 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.72 -72.96 0.36 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.51 1.131 . . . . 0.0 110.973 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.82 94.49 3.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 0.779 . . . . 0.0 109.996 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.0 t -106.4 121.05 43.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 109.982 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.408 ' O ' ' NE2' ' A' ' 9' ' ' GLN . . . 129.21 132.15 3.46 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.506 1.128 . . . . 0.0 111.02 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -89.8 84.85 6.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.439 0.729 . . . . 0.0 110.311 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.414 ' HA ' HD23 ' A' ' 39' ' ' LEU . 2.0 mp0 -94.76 152.61 18.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.739 ' HB2' HG11 ' A' ' 111' ' ' VAL . 4.9 ttt -151.18 130.76 13.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.479 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 8.3 pt-20 -144.11 122.92 12.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -164.73 153.16 23.23 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.535 1.147 . . . . 0.0 111.005 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.729 ' O ' HD12 ' A' ' 14' ' ' LEU . 3.5 tpt -58.54 119.92 7.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 0.798 . . . . 0.0 110.964 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.729 HD12 ' O ' ' A' ' 13' ' ' MET . 1.8 mp -139.11 153.05 47.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -94.32 96.63 9.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 108.341 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.561 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 14.3 ttp180 -89.1 123.59 33.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.286 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -124.54 94.55 4.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.31 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.404 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 25.5 tt0 -61.11 110.31 1.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.454 ' O ' ' NE ' ' A' ' 30' ' ' ARG . 2.5 mm-40 -88.4 -51.75 5.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.404 ' SD ' ' O ' ' A' ' 25' ' ' LYS . 80.7 mmm -125.07 163.49 22.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.998 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.511 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 14.2 tt0 -115.07 -12.54 11.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.511 ' HB2' ' O ' ' A' ' 21' ' ' GLU . . . 174.59 173.28 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 45.9 m-85 -47.69 118.5 2.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 110.991 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 59.05 14.41 24.49 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.515 1.135 . . . . 0.0 110.95 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.404 ' O ' ' SD ' ' A' ' 20' ' ' MET . 0.0 OUTLIER -101.07 121.59 42.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 0.754 . . . . 0.0 109.298 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -89.16 137.85 31.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 28' ' ' ALA . . . -76.01 138.28 40.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 27' ' ' ALA . . . -39.31 -62.74 0.62 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -133.17 119.23 19.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.454 ' NE ' ' O ' ' A' ' 19' ' ' GLU . 14.7 mtp180 -103.59 66.49 0.87 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.277 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.5 m -104.23 163.91 12.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.992 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 82.4 m95 -84.5 128.4 34.57 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 108.027 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.699 ' O ' HG23 ' A' ' 35' ' ' VAL . 64.8 mt-30 -147.36 123.87 11.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -60.85 102.99 0.22 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 109.34 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.699 HG23 ' O ' ' A' ' 33' ' ' GLN . 44.1 t -120.82 121.48 65.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.446 ' CE1' ' HB2' ' A' ' 50' ' ' ALA . 26.3 t80 -69.83 111.16 5.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.438 1.086 . . . . 0.0 110.997 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.728 ' SG ' HD11 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -75.18 129.58 37.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 108.328 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.417 ' HB ' ' CE1' ' A' ' 47' ' ' TYR . 45.7 t -126.74 105.27 13.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.93 HD22 HG12 ' A' ' 111' ' ' VAL . 0.6 OUTLIER -102.2 144.01 31.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 42' ' ' GLY . 2.7 tpt180 -134.66 -148.36 0.31 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 110.339 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -66.18 69.08 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.324 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.567 ' HA2' ' HB1' ' A' ' 115' ' ' ALA . . . 77.55 55.98 4.06 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.446 ' O ' ' HA ' ' A' ' 39' ' ' LEU . 60.4 p -160.25 167.24 28.0 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.543 0.79 . . . . 0.0 109.993 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.728 HD11 ' SG ' ' A' ' 37' ' ' CYS . 52.4 tp -150.06 101.07 2.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -101.01 147.68 17.91 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.502 1.126 . . . . 0.0 111.016 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.481 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 67.9 m-85 -106.25 136.15 46.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 0.733 . . . . 0.0 110.961 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.481 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 6.8 m-85 -137.54 166.94 22.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.76 -63.8 1.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.553 ' H ' ' HB3' ' A' ' 52' ' ' ALA . 0.2 OUTLIER -152.63 -174.67 4.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.314 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.446 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . . . -61.0 -26.22 67.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -77.56 -14.49 59.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.561 1.163 . . . . 0.0 109.327 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.553 ' HB3' ' H ' ' A' ' 49' ' ' ASP . . . -97.42 -24.94 15.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.43 -40.26 73.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.5 t -70.81 -41.61 71.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.976 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.81 -3.79 33.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 57.97 44.77 94.38 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.548 1.155 . . . . 0.0 110.999 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 78.4 t -104.41 105.58 50.36 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.476 0.75 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 128.83 11.78 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.486 1.782 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.409 ' C ' ' N ' ' A' ' 61' ' ' GLY . 5.3 t80 -49.18 117.27 2.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.954 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 11.1 m170 48.81 23.32 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.577 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.409 ' N ' ' C ' ' A' ' 59' ' ' TYR . . . 69.3 31.37 71.55 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.542 1.152 . . . . 0.0 110.959 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -77.11 115.43 16.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 0.775 . . . . 0.0 110.285 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.412 HG13 ' H ' ' A' ' 63' ' ' VAL . 1.1 m -65.11 164.89 19.11 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 152.68 40.91 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.55 1.816 . . . . 0.0 111.012 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.474 ' HB ' ' CD1' ' A' ' 89' ' ' LEU . 27.3 m -97.69 125.11 50.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 38.9 m -70.67 129.96 40.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.031 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.604 HD11 ' CD1' ' A' ' 39' ' ' LEU . 19.9 mt -91.9 31.88 1.19 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.455 1.097 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.422 ' O ' ' CB ' ' A' ' 69' ' ' ARG . . . -82.39 108.06 15.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 109.292 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.422 ' CB ' ' O ' ' A' ' 68' ' ' ALA . 3.4 mmp_? 78.38 21.76 0.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 110.316 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.479 ' HB3' HG12 ' A' ' 116' ' ' ILE . . . -91.81 176.16 6.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.271 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -149.53 148.08 28.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -133.2 128.8 5.2 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 58.1 m -137.51 161.45 36.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 0.749 . . . . 0.0 110.021 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.872 HG11 ' CE1' ' A' ' 76' ' ' PHE . 54.2 t -80.36 154.83 4.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 84' ' ' VAL . . . -106.28 87.31 2.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.872 ' CE1' HG11 ' A' ' 74' ' ' VAL . 45.4 m-85 -89.04 25.45 1.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.939 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.417 ' O ' ' C ' ' A' ' 78' ' ' TYR . 1.1 m-20 -125.03 -42.36 2.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.344 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.473 ' CD2' HG11 ' A' ' 84' ' ' VAL . 3.2 t80 -35.89 131.44 0.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.095 . . . . 0.0 110.954 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.487 ' O ' ' HB2' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -104.94 173.53 6.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.254 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.487 ' HB2' ' O ' ' A' ' 79' ' ' ARG . 5.4 mmpt? 75.0 -82.06 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.457 1.098 . . . . 0.0 109.328 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.466 ' HB2' ' CE1' ' A' ' 78' ' ' TYR . 62.6 mtt180 -81.03 175.51 10.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.483 ' C ' ' CG ' ' A' ' 83' ' ' HIS . 68.8 mttt -140.3 165.42 27.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.522 ' CG ' ' HA ' ' A' ' 101' ' ' ASP . 0.2 OUTLIER 63.61 55.3 1.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.593 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.543 ' O ' ' HB3' ' A' ' 75' ' ' ALA . 59.5 t -122.67 140.41 46.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.593 ' CZ ' ' HB2' ' A' ' 97' ' ' PHE . 10.6 p90 -129.95 136.37 49.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 110.96 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.475 ' HA ' HD23 ' A' ' 96' ' ' LEU . 33.6 ttmt -86.03 153.57 22.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.095 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.416 HD13 HG11 ' A' ' 112' ' ' VAL . 55.3 tp -138.83 107.54 5.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.562 1.164 . . . . 0.0 109.31 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -108.71 114.32 4.03 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.527 1.142 . . . . 0.0 110.949 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.474 ' CD1' ' HB ' ' A' ' 65' ' ' VAL . 5.4 mt -74.89 177.23 6.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 0.776 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -81.87 -17.21 48.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.307 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -85.24 8.73 17.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 79.24 21.24 67.87 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.533 1.145 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.41 119.03 29.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.571 0.806 . . . . 0.0 109.288 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -110.81 126.05 54.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 110.298 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -124.41 159.19 30.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.475 HD23 ' HA ' ' A' ' 86' ' ' LYS . 13.4 mt -131.41 116.19 17.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.602 ' HB3' HD23 ' A' ' 14' ' ' LEU . 91.4 m-85 -117.98 127.53 53.91 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.456 ' HG3' HG22 ' A' ' 84' ' ' VAL . 12.2 tt0 -98.35 117.18 32.19 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.438 1.086 . . . . 0.0 110.275 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.564 ' HB1' ' HB3' ' A' ' 104' ' ' GLU . . . -90.82 150.23 21.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.7 pttp -52.3 -41.29 62.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.522 ' HA ' ' CG ' ' A' ' 83' ' ' HIS . 63.4 m-20 -157.03 169.99 23.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -50.58 -34.86 27.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.38 -63.06 1.35 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.564 ' HB3' ' HB1' ' A' ' 99' ' ' ALA . 0.5 OUTLIER -46.04 -54.96 7.56 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 110.323 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.801 ' CE ' HG22 ' A' ' 74' ' ' VAL . 13.6 tmm? -58.61 -63.89 1.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.459 ' C ' ' O ' ' A' ' 105' ' ' MET . 7.9 t -34.92 -42.85 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.971 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.833 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.3 OUTLIER -66.02 -51.48 57.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.041 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.578 ' CH2' ' HG2' ' A' ' 10' ' ' MET . 34.7 m95 -47.98 -63.16 1.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.556 HD21 ' CG ' ' A' ' 85' ' ' PHE . 0.5 OUTLIER -43.51 -50.26 7.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 45.5 ttt180 -56.8 -36.58 70.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.337 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.93 HG12 HD22 ' A' ' 39' ' ' LEU . 19.9 t -78.52 -59.11 3.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.471 ' N ' ' O ' ' A' ' 108' ' ' TRP . 83.8 t -46.65 -36.94 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -72.52 -36.6 68.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 111' ' ' VAL . . . -71.43 -18.9 62.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.567 ' HB1' ' HA2' ' A' ' 42' ' ' GLY . . . -88.61 -44.03 10.93 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.459 1.099 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.479 HG12 ' HB3' ' A' ' 70' ' ' ALA . 45.2 mt -54.84 -56.92 8.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -53.88 -42.53 68.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.0 m -78.55 61.36 2.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.029 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -92.43 -160.83 36.15 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 132.88 15.87 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.494 1.786 . . . . 0.0 110.966 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 32.0 p 57.5 63.27 1.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.987 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 47.0 t -130.07 121.83 27.15 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.553 1.158 . . . . 0.0 109.972 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 O-C-N 124.473 1.108 . . . . 0.0 111.031 179.961 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.057 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.2 t -75.95 -58.65 3.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 0.784 . . . . 0.0 110.023 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m -159.05 150.21 20.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.998 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.85 101.9 0.7 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 t -107.38 133.21 52.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.765 . . . . 0.0 109.985 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.401 ' HA ' ' NE ' ' A' ' 41' ' ' ARG . 87.9 p -51.32 140.3 17.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 110.008 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.39 -147.11 18.93 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.483 1.114 . . . . 0.0 110.951 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -106.35 110.65 22.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 0.763 . . . . 0.0 110.278 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.822 ' HA ' HD23 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -101.25 158.68 15.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.11 . . . . 0.0 110.29 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.788 ' HB2' HG11 ' A' ' 111' ' ' VAL . 7.2 ttt -155.89 132.08 10.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.479 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 8.0 pt-20 -144.23 125.03 14.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -168.29 157.99 30.49 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.523 1.14 . . . . 0.0 110.997 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.68 ' O ' HD12 ' A' ' 14' ' ' LEU . 1.9 mmt -58.85 124.53 20.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 0.78 . . . . 0.0 110.986 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.867 HD23 ' HB3' ' A' ' 97' ' ' PHE . 1.3 mp -143.84 156.85 44.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.403 ' O ' ' O ' ' A' ' 96' ' ' LEU . 0.3 OUTLIER -98.11 96.3 8.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 108.257 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.545 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 10.2 ttp180 -88.62 119.49 29.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.281 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -124.08 97.78 5.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.464 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 20.6 tt0 -64.41 112.36 3.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 110.331 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.467 ' OE2' ' N ' ' A' ' 96' ' ' LEU . 1.9 mp0 -93.25 -46.61 7.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 110.35 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.5 ' CE ' ' O ' ' A' ' 25' ' ' LYS . 91.0 mmm -127.04 154.23 44.94 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.467 1.105 . . . . 0.0 111.011 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.493 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 5.3 tt0 -110.68 -12.72 14.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.329 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.493 ' HB2' ' O ' ' A' ' 21' ' ' GLU . . . 175.88 174.72 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.316 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -48.55 115.31 1.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 61.6 12.25 32.82 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.506 1.129 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.5 ' O ' ' CE ' ' A' ' 20' ' ' MET . 0.0 OUTLIER -96.77 127.71 43.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 0.787 . . . . 0.0 109.248 -179.94 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.4 ptpt -93.86 138.63 31.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.242 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.464 ' CB ' ' HG2' ' A' ' 18' ' ' GLN . . . -78.6 133.49 37.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.44 -69.06 0.15 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -106.93 121.94 45.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 28.9 mtm180 -115.87 62.57 0.7 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.329 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.86 158.22 24.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 0.0 109.974 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 85.1 m95 -79.67 132.32 36.19 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.43 ' O ' HG23 ' A' ' 35' ' ' VAL . 52.8 mt-30 -147.16 134.63 20.84 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.476 1.11 . . . . 0.0 110.295 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.52 103.76 1.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.348 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.482 ' CG1' ' HB3' ' A' ' 46' ' ' PHE . 33.2 t -124.46 125.14 69.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.107 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.595 ' CE1' ' HB2' ' A' ' 50' ' ' ALA . 54.8 t80 -71.82 111.6 7.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.882 ' SG ' HD11 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -77.22 127.17 32.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 108.305 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 52.2 t -123.34 105.43 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.242 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.946 HD22 HG12 ' A' ' 111' ' ' VAL . 0.9 OUTLIER -99.5 144.6 28.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.472 ' O ' ' N ' ' A' ' 42' ' ' GLY . 3.4 tpt180 -144.61 -145.77 0.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 110.323 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.421 ' NH1' ' HB3' ' A' ' 41' ' ' ARG . 5.4 mmm180 -66.0 66.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.357 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.583 ' HA2' ' HB1' ' A' ' 115' ' ' ALA . . . 71.45 50.88 19.0 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.54 1.15 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 79.4 p -160.1 127.09 4.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 0.792 . . . . 0.0 109.945 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.882 HD11 ' SG ' ' A' ' 37' ' ' CYS . 19.6 tp -110.86 105.31 14.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -98.27 145.14 17.64 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.472 1.108 . . . . 0.0 111.038 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.519 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 64.9 m-85 -106.1 137.71 43.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 0.763 . . . . 0.0 111.035 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.519 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 16.7 m-85 -143.17 167.9 21.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 110.932 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.5 ttpt -61.09 -55.79 28.44 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.481 ' H ' ' HB3' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -154.97 -175.31 5.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.595 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . . . -67.83 -17.71 64.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.0 mmtp -84.01 -22.28 31.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.481 ' HB3' ' H ' ' A' ' 49' ' ' ASP . . . -90.63 -26.42 19.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.456 ' HA ' ' CD2' ' A' ' 47' ' ' TYR . . . -73.26 -42.15 62.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.13 -39.38 89.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 109.981 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.53 -4.31 45.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.328 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 65.82 29.44 75.07 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.553 1.158 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 46.8 t -96.5 116.57 66.2 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.497 0.763 . . . . 0.0 109.292 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 140.96 26.08 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.484 1.781 . . . . 0.0 111.016 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 15.9 t80 -43.06 -64.58 0.61 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.999 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 11.3 m-70 -129.18 5.43 5.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.593 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 97.69 7.79 56.39 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.49 1.119 . . . . 0.0 110.984 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.44 ' O ' ' O ' ' A' ' 63' ' ' VAL . 54.6 mt-10 -70.36 100.61 1.77 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 0.754 . . . . 0.0 110.319 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.44 ' O ' ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -42.94 166.99 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.333 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 163.27 35.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.527 1.804 . . . . 0.0 110.955 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.421 HG22 ' O ' ' A' ' 44' ' ' LEU . 19.4 m -107.46 122.87 62.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.351 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 13.6 t -58.79 136.78 57.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.992 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.719 HD11 HD12 ' A' ' 39' ' ' LEU . 90.2 mt -104.3 50.43 0.79 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.613 ' O ' HG23 ' A' ' 116' ' ' ILE . . . -57.82 -114.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.0 mmt180 -84.72 14.83 4.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.316 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.503 ' O ' HG21 ' A' ' 116' ' ' ILE . . . -43.64 165.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.682 ' O ' HD12 ' A' ' 87' ' ' LEU . 6.3 pt20 -123.21 146.69 47.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.279 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.491 ' C ' ' CD1' ' A' ' 109' ' ' LEU . . . -133.7 108.82 0.76 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.544 1.153 . . . . 0.0 110.981 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.5 t -132.4 160.21 37.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 0.755 . . . . 0.0 110.036 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.686 HG22 ' CE ' ' A' ' 105' ' ' MET . 49.9 t -74.33 154.19 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -96.4 63.24 2.13 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -48.1 -49.41 31.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.957 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -42.42 -59.74 1.75 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.506 ' CD2' HG11 ' A' ' 84' ' ' VAL . 0.3 OUTLIER -43.91 106.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 111.008 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 23.4 ttt180 -97.55 -41.34 8.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 110.278 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -49.97 -78.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.461 ' HB2' ' CZ ' ' A' ' 78' ' ' TYR . 58.6 mtt-85 -69.54 174.61 4.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 110.32 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 26.2 mttt -133.84 159.78 39.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.41 ' HA ' ' SD ' ' A' ' 105' ' ' MET . 0.0 OUTLIER 52.4 68.4 0.83 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 109.586 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.506 HG11 ' CD2' ' A' ' 78' ' ' TYR . 82.0 t -138.5 137.86 43.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.621 ' CG ' HD21 ' A' ' 109' ' ' LEU . 3.6 p90 -128.99 149.0 51.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.467 ' HE3' HD21 ' A' ' 96' ' ' LEU . 0.2 OUTLIER -98.9 125.62 44.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.682 HD12 ' O ' ' A' ' 71' ' ' GLN . 36.2 tp -107.68 112.12 24.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -110.1 115.71 4.21 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.467 1.104 . . . . 0.0 111.021 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.41 HD11 ' HB ' ' A' ' 65' ' ' VAL . 6.7 mt -73.5 -173.0 1.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 0.751 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -93.71 -1.24 55.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.266 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -108.06 22.34 16.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.088 . . . . 0.0 109.294 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 67.37 28.13 73.61 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.546 1.154 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.74 105.45 16.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 0.78 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -100.43 143.57 30.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.443 ' HB3' ' CE2' ' A' ' 97' ' ' PHE . 65.4 m-85 -136.21 158.24 44.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 111.023 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.467 ' N ' ' OE2' ' A' ' 19' ' ' GLU . 27.2 mt -126.72 120.56 29.72 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.867 ' HB3' HD23 ' A' ' 14' ' ' LEU . 94.4 m-85 -124.86 137.07 54.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.479 ' HA ' HG22 ' A' ' 84' ' ' VAL . 10.3 tt0 -112.16 114.1 26.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.269 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.594 ' HA ' HD11 ' A' ' 14' ' ' LEU . . . -81.27 169.78 16.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.0 pttt -64.76 -34.17 77.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.403 ' HA ' ' CG ' ' A' ' 83' ' ' HIS . 39.5 m-20 -165.99 -179.44 5.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -52.63 -35.61 54.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 110.26 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.21 -70.62 0.16 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 1.099 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.53 ' HB3' ' HB1' ' A' ' 99' ' ' ALA . 0.4 OUTLIER -46.4 -44.63 17.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.686 ' CE ' HG22 ' A' ' 74' ' ' VAL . 14.2 ttp -63.26 -68.53 0.33 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 111.02 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 37.0 t -41.72 -44.68 3.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.001 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.844 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.3 OUTLIER -57.12 -55.22 37.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 1.17 . . . . 0.0 109.995 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.524 ' CZ3' ' HG2' ' A' ' 10' ' ' MET . 37.4 m95 -41.28 -65.62 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 108.024 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.621 HD21 ' CG ' ' A' ' 85' ' ' PHE . 1.0 OUTLIER -41.58 -56.99 2.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 42.3 ttt-85 -50.48 -36.45 33.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.426 1.079 . . . . 0.0 110.28 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.946 HG12 HD22 ' A' ' 39' ' ' LEU . 7.3 t -78.35 -59.85 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.574 HG11 HD13 ' A' ' 87' ' ' LEU . 69.5 t -46.76 -43.14 6.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -67.04 -37.07 83.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 111' ' ' VAL . . . -66.04 -18.83 65.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.583 ' HB1' ' HA2' ' A' ' 42' ' ' GLY . . . -91.04 -38.39 12.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.613 HG23 ' O ' ' A' ' 68' ' ' ALA . 17.5 mt -69.11 -36.63 74.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.04 -47.91 64.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.7 m -93.78 43.42 1.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 109.978 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -86.43 -162.12 36.6 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 166.05 30.03 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.493 1.786 . . . . 0.0 110.979 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 71.6 m 64.92 86.0 0.13 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.98 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 53.0 p -119.31 -175.89 3.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 110.023 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.536 1.147 . . . . 0.0 110.996 179.991 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -54.0 144.01 20.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 0.737 . . . . 0.0 109.966 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 t -73.11 131.34 41.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.96 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.9 143.6 6.0 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.54 1.15 . . . . 0.0 110.992 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.6 m -100.68 97.24 7.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 0.79 . . . . 0.0 110.01 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -72.79 134.42 44.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.96 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.08 104.36 1.72 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.495 1.122 . . . . 0.0 110.998 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -127.98 106.39 9.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 0.772 . . . . 0.0 110.268 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -98.06 151.69 20.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.291 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.587 ' CB ' HG11 ' A' ' 111' ' ' VAL . 7.6 ttt -154.54 127.37 8.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.951 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.448 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 6.9 pt-20 -143.25 124.96 14.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.16 161.32 34.92 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.481 1.113 . . . . 0.0 111.033 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.727 ' O ' HD12 ' A' ' 14' ' ' LEU . 1.8 mmt -59.44 125.66 24.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 0.789 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.9 HD23 ' HB3' ' A' ' 97' ' ' PHE . 1.4 mp -145.53 154.69 42.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.427 ' O ' ' HA ' ' A' ' 97' ' ' PHE . 0.5 OUTLIER -96.53 95.48 8.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 108.285 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.575 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 8.9 ttp180 -87.95 119.97 28.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.42 ' HD2' ' NE1' ' A' ' 32' ' ' TRP . 0.7 OUTLIER -123.94 108.37 12.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.281 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.708 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 45.8 tt0 -70.01 111.52 5.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.332 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -87.97 -46.19 9.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.325 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 85.9 mmm -137.64 141.99 41.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 2.7 tt0 -100.1 -10.67 21.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.301 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.409 ' HB2' ' O ' ' A' ' 21' ' ' GLU . . . -179.91 174.46 0.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -52.98 119.74 5.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 59.84 15.38 34.45 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.5 ' CE ' ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -109.28 123.99 50.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 0.749 . . . . 0.0 109.286 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.5 ' O ' ' CE ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -87.13 149.14 24.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 109.289 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.708 ' HB2' ' HG2' ' A' ' 18' ' ' GLN . . . -67.5 153.0 44.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.163 . . . . 0.0 109.345 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -43.16 -80.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -83.01 -53.6 5.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.09 . . . . 0.0 109.277 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.585 ' HG3' ' HB3' ' A' ' 27' ' ' ALA . 0.0 OUTLIER 72.19 47.89 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.312 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.1 p -120.59 166.35 13.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.038 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.445 ' CZ2' ' OH ' ' A' ' 78' ' ' TYR . 82.0 m95 -82.67 128.42 34.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 108.04 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.466 ' O ' HG23 ' A' ' 35' ' ' VAL . 48.0 mt-30 -142.83 133.46 25.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -66.85 103.59 1.16 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 109.311 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.495 HG11 ' HB3' ' A' ' 46' ' ' PHE . 38.4 t -125.74 127.31 71.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.475 ' CE2' HG22 ' A' ' 38' ' ' VAL . 59.5 t80 -74.8 114.31 13.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.56 1.162 . . . . 0.0 110.988 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.702 ' SG ' HD11 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -78.36 132.98 37.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 108.29 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.475 HG22 ' CE2' ' A' ' 36' ' ' TYR . 87.1 t -132.43 105.59 9.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 1.064 HD22 HG12 ' A' ' 111' ' ' VAL . 0.8 OUTLIER -96.21 135.53 37.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -169.08 139.34 2.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 110.257 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 51.25 28.81 4.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.322 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.653 ' HA2' ' HB1' ' A' ' 115' ' ' ALA . . . 70.82 45.23 53.35 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.497 1.123 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 95.4 p -146.7 123.21 11.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 0.781 . . . . 0.0 109.978 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.702 HD11 ' SG ' ' A' ' 37' ' ' CYS . 32.2 tp -89.87 111.38 22.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.67 154.02 19.27 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.512 1.133 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.495 ' HB3' HG11 ' A' ' 35' ' ' VAL . 31.4 m-85 -116.06 133.9 55.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.772 . . . . 0.0 111.018 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.478 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 34.3 m-85 -144.66 161.56 38.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.965 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.474 ' O ' ' HE1' ' A' ' 13' ' ' MET . 0.6 OUTLIER -52.62 -67.67 0.23 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.298 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.485 ' HA ' ' HE3' ' A' ' 13' ' ' MET . 2.2 m-20 -152.23 -175.78 5.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.2 -13.84 31.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -79.98 -30.96 39.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.153 . . . . 0.0 109.278 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.435 ' O ' ' N ' ' A' ' 56' ' ' GLY . . . -84.58 -54.65 4.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -41.26 -48.68 3.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.12 -43.33 99.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 110.023 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 52' ' ' ALA . . . -76.66 -1.42 27.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.549 1.156 . . . . 0.0 109.26 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 52' ' ' ALA . . . 58.45 36.04 82.47 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.486 1.116 . . . . 0.0 110.95 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 91.8 t -103.23 122.3 45.75 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.51 0.771 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 133.41 16.59 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.495 1.787 . . . . 0.0 110.979 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -47.67 -65.17 0.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 111.026 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -120.1 40.36 3.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 109.587 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 54.87 22.11 25.74 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.46 1.1 . . . . 0.0 110.981 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -87.13 136.18 33.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 0.76 . . . . 0.0 110.344 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -79.88 171.74 11.64 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 144.9 30.75 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 0.0 111.028 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.444 ' HB ' HD11 ' A' ' 89' ' ' LEU . 16.6 m -90.13 126.74 42.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.4 m -69.66 124.75 24.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.022 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.594 HD11 HD12 ' A' ' 39' ' ' LEU . 6.2 mt -88.89 43.01 1.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.471 ' CB ' ' HG3' ' A' ' 120' ' ' PRO . . . -88.27 122.31 31.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.433 ' HD2' ' HB1' ' A' ' 68' ' ' ALA . 0.3 OUTLIER 59.43 22.34 10.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -84.66 170.66 13.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.577 1.173 . . . . 0.0 109.341 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.47 ' O ' HD12 ' A' ' 87' ' ' LEU . 2.3 pt20 -130.23 139.44 50.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.344 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -135.41 110.53 0.83 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.471 1.107 . . . . 0.0 111.009 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.2 t -137.92 161.29 37.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 0.778 . . . . 0.0 109.999 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.626 HG22 ' CE ' ' A' ' 105' ' ' MET . 36.0 t -65.01 147.25 12.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -97.38 53.13 1.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -46.06 -42.99 14.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.977 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 51.6 t0 -45.59 -53.99 8.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.445 ' OH ' ' CZ2' ' A' ' 32' ' ' TRP . 3.2 t80 -43.57 128.06 5.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.75 57.44 1.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 110.274 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -138.9 -55.5 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 -108.22 -172.99 2.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 110.291 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.429 ' C ' ' CG ' ' A' ' 83' ' ' HIS . 31.3 mttt -124.49 159.23 31.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.429 ' CG ' ' C ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER 49.96 67.27 0.93 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.414 1.071 . . . . 0.0 109.62 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.466 ' CG2' ' HG3' ' A' ' 98' ' ' GLN . 87.6 t -130.32 128.25 63.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.713 ' CB ' HD21 ' A' ' 109' ' ' LEU . 14.5 p90 -126.76 143.49 51.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.433 ' HA ' HD23 ' A' ' 96' ' ' LEU . 13.2 ttmt -89.78 149.88 22.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.47 HD12 ' O ' ' A' ' 71' ' ' GLN . 46.3 tp -134.04 98.84 4.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -95.46 114.37 4.86 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.487 1.117 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.444 HD11 ' HB ' ' A' ' 65' ' ' VAL . 3.8 mt -72.75 -168.24 0.44 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 0.761 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -98.43 -13.17 20.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.267 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -99.54 29.1 4.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 62.09 33.34 85.45 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.463 1.102 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.67 107.92 19.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 0.779 . . . . 0.0 109.283 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -104.55 135.01 46.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 110.282 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 67.5 m-85 -132.58 156.12 47.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 86' ' ' LYS . 55.6 mt -126.39 120.54 30.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.9 ' HB3' HD23 ' A' ' 14' ' ' LEU . 95.9 m-85 -119.38 121.18 38.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 110.975 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.466 ' HG3' ' CG2' ' A' ' 84' ' ' VAL . 31.1 tt0 -95.85 103.83 15.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 110.331 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.523 ' HA ' HD11 ' A' ' 14' ' ' LEU . . . -64.95 179.49 0.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.567 1.167 . . . . 0.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.7 pttt -86.09 -34.18 20.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -155.15 177.06 11.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.259 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -53.66 -49.89 66.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 110.288 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' A' ' 104' ' ' GLU . . . -52.19 -67.72 0.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.473 ' HG2' ' HB1' ' A' ' 99' ' ' ALA . 1.0 OUTLIER -37.19 -51.58 1.02 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.264 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.626 ' CE ' HG22 ' A' ' 74' ' ' VAL . 3.6 tmm? -58.16 -71.79 0.1 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 111.04 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.533 ' N ' ' SD ' ' A' ' 105' ' ' MET . 0.4 OUTLIER -35.24 -49.06 0.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.986 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.866 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.3 OUTLIER -56.59 -53.3 59.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.104 . . . . 0.0 110.021 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.579 ' CH2' ' HB3' ' A' ' 37' ' ' CYS . 22.0 m95 -49.08 -49.49 41.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 108.005 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.713 HD21 ' CB ' ' A' ' 85' ' ' PHE . 2.5 mm? -58.39 -48.12 81.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 38.7 ttt180 -60.32 -41.4 93.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.276 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 1.064 HG12 HD22 ' A' ' 39' ' ' LEU . 17.8 t -70.92 -58.22 5.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 108' ' ' TRP . 73.7 t -49.86 -35.54 10.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.435 ' ND2' ' O ' ' A' ' 109' ' ' LEU . 13.0 m-80 -72.12 -38.34 69.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.52 -17.65 64.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.653 ' HB1' ' HA2' ' A' ' 42' ' ' GLY . . . -91.13 -44.45 9.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 46.0 mt -56.51 -58.51 5.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -53.57 -60.31 3.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 119' ' ' GLY . 2.1 t -48.12 105.4 0.07 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.986 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 118' ' ' SER . . . -34.76 130.36 0.58 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.471 ' HG3' ' CB ' ' A' ' 68' ' ' ALA . 18.3 Cg_endo -74.98 88.92 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.502 1.79 . . . . 0.0 110.979 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 70.3 m 59.77 114.53 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.498 1.124 . . . . 0.0 109.988 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 30.1 t 63.09 97.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.955 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.498 1.124 . . . . 0.0 110.985 179.992 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.94 158.01 15.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 0.798 . . . . 0.0 109.952 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.44 -58.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 0.0 109.98 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.8 -126.48 7.93 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -59.27 104.1 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 0.747 . . . . 0.0 110.0 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -117.08 -54.27 2.42 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.518 1.136 . . . . 0.0 109.98 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.43 -154.25 7.38 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.535 1.147 . . . . 0.0 111.025 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.433 ' HB2' ' CB ' ' A' ' 114' ' ' ALA . 7.2 mp0 -85.88 102.15 13.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 0.79 . . . . 0.0 110.302 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.507 ' HA ' HD23 ' A' ' 39' ' ' LEU . 4.7 pp0? -99.91 160.42 14.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 110.336 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.711 ' CB ' HG11 ' A' ' 111' ' ' VAL . 7.1 ttt -166.2 129.54 2.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 1.153 . . . . 0.0 111.02 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.421 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 5.9 pt-20 -144.35 132.94 22.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -172.21 171.28 44.13 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.463 1.102 . . . . 0.0 110.983 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.677 ' O ' HD12 ' A' ' 14' ' ' LEU . 1.0 OUTLIER -72.87 120.43 18.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 0.774 . . . . 0.0 110.998 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.677 HD12 ' O ' ' A' ' 13' ' ' MET . 1.5 mp -140.63 155.47 46.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.455 ' O ' ' HA ' ' A' ' 97' ' ' PHE . 0.3 OUTLIER -95.71 95.47 8.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 108.281 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.568 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 12.0 ttp180 -87.33 119.36 27.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.325 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.1 tttt -122.73 94.97 4.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.474 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 9.7 tt0 -59.21 109.56 0.89 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 110.245 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -90.53 -54.11 4.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 110.276 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 7.2 mtp -117.55 142.53 47.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -111.18 -15.78 13.59 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.471 1.107 . . . . 0.0 110.323 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.448 ' HA ' ' O ' ' A' ' 92' ' ' GLY . . . -169.94 164.67 9.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -45.63 121.16 2.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 111.039 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 53.6 19.32 9.27 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.459 1.1 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.432 ' CB ' ' HB3' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -110.71 125.94 54.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 0.737 . . . . 0.0 109.332 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.428 ' O ' ' CE ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -92.84 137.54 32.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.474 ' CB ' ' HG2' ' A' ' 18' ' ' GLN . . . -71.21 140.3 50.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 27' ' ' ALA . . . -40.12 -78.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.0 p-10 -90.38 134.83 34.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 29.8 mtm180 -128.18 54.24 1.75 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.311 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.6 m -108.24 160.04 16.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.999 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.423 ' CH2' ' HB3' ' A' ' 96' ' ' LEU . 85.7 m95 -83.58 133.13 34.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 107.989 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -146.34 133.41 20.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -65.94 103.71 0.98 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.47 ' CG1' ' HB3' ' A' ' 46' ' ' PHE . 80.2 t -120.93 129.72 75.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.45 ' CD2' ' HB2' ' A' ' 53' ' ' ALA . 6.5 t80 -76.22 109.77 10.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.974 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.61 ' SG ' ' CE1' ' A' ' 97' ' ' PHE . 0.5 OUTLIER -76.92 132.94 39.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 108.339 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 70.0 t -133.84 105.63 7.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.966 HD22 HG12 ' A' ' 111' ' ' VAL . 0.7 OUTLIER -98.01 137.71 36.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -170.19 146.2 2.92 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.105 . . . . 0.0 110.294 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.431 ' HB2' ' NH1' ' A' ' 41' ' ' ARG . 0.6 OUTLIER 42.9 30.53 0.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 110.313 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.629 ' HA2' ' HB1' ' A' ' 115' ' ' ALA . . . 69.27 54.78 11.97 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.517 1.135 . . . . 0.0 111.001 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -157.52 124.17 4.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 0.74 . . . . 0.0 109.989 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.547 HD11 ' SG ' ' A' ' 37' ' ' CYS . 27.2 tp -91.39 121.5 33.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.315 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -109.59 155.68 15.97 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.495 1.122 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.548 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 37.7 m-85 -122.41 136.99 55.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 0.762 . . . . 0.0 111.013 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.548 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 17.0 m-85 -146.36 152.73 39.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -40.59 -58.45 1.6 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.463 ' HA ' ' HE3' ' A' ' 13' ' ' MET . 2.4 m-20 -162.05 -173.45 3.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.409 ' HA ' ' CE2' ' A' ' 36' ' ' TYR . . . -63.85 -13.03 41.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.16 -19.14 30.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.417 ' HB1' ' HB ' ' A' ' 57' ' ' VAL . . . -97.37 -17.62 19.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.267 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.45 ' HB2' ' CD2' ' A' ' 36' ' ' TYR . . . -74.23 -38.38 63.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -69.57 -40.41 76.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 110.014 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -81.63 -7.7 59.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 62.7 49.57 71.91 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.457 1.098 . . . . 0.0 111.012 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.417 ' HB ' ' HB1' ' A' ' 52' ' ' ALA . 96.5 t -103.47 106.42 51.76 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.493 0.761 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 128.68 11.68 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.513 1.796 . . . . 0.0 111.001 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -47.9 115.48 1.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.978 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 12.0 m170 50.63 22.13 1.03 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.608 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.67 33.9 50.57 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -85.71 127.42 34.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 0.775 . . . . 0.0 110.268 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -81.85 170.92 13.35 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.427 1.08 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.438 ' HA ' ' O ' ' A' ' 44' ' ' LEU . 18.4 Cg_endo -74.98 147.16 33.63 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.459 1.768 . . . . 0.0 111.027 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 19.6 m -90.04 125.63 42.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.3 p -69.21 127.04 31.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.006 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.589 HD11 HD12 ' A' ' 39' ' ' LEU . 12.9 mt -89.56 41.97 1.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -84.76 111.32 19.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 9.9 mtm180 70.28 18.44 6.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.317 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.428 ' CB ' ' HA ' ' A' ' 89' ' ' LEU . . . -83.06 172.32 12.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -150.07 133.79 16.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -112.51 116.79 4.15 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.486 1.116 . . . . 0.0 111.021 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.2 t -123.2 159.71 28.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 0.776 . . . . 0.0 110.011 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.75 HG22 ' HE3' ' A' ' 105' ' ' MET . 82.8 t -87.33 154.15 3.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -113.93 76.52 0.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.634 ' CE2' HG11 ' A' ' 74' ' ' VAL . 62.4 m-85 -79.56 4.14 16.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 111.023 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -135.87 50.3 2.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.601 ' CD2' ' O ' ' A' ' 79' ' ' ARG . 36.0 t80 -109.28 -30.19 8.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.601 ' O ' ' CD2' ' A' ' 78' ' ' TYR . 1.4 ttt-85 60.55 179.2 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.283 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 76.24 -69.25 0.17 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.408 1.068 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 -108.19 -176.1 2.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 110.288 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 34.8 mttt -133.01 159.34 40.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.337 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.425 ' HA ' ' SD ' ' A' ' 105' ' ' MET . 0.0 OUTLIER 53.1 64.77 1.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.572 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.673 HG22 ' HG3' ' A' ' 98' ' ' GLN . 62.6 t -128.82 136.55 59.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.653 ' CG ' HD21 ' A' ' 109' ' ' LEU . 19.1 p90 -127.04 139.97 52.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.567 ' HA ' HD23 ' A' ' 96' ' ' LEU . 26.5 ttmt -91.9 118.48 30.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.105 . . . . 0.0 109.246 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.56 HD13 HG11 ' A' ' 112' ' ' VAL . 35.3 tp -94.73 98.6 10.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.276 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -97.8 113.62 4.77 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.567 1.167 . . . . 0.0 111.003 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.458 HD12 ' HB3' ' A' ' 93' ' ' LYS . 16.7 mt -68.45 -130.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 0.766 . . . . 0.0 109.268 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.586 ' O ' ' CB ' ' A' ' 91' ' ' ASP . 2.7 pt20 -86.61 23.89 1.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.324 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.586 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 5.6 t0 88.71 -19.79 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.448 ' O ' ' HA ' ' A' ' 22' ' ' ALA . . . -89.16 9.93 74.99 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.509 1.131 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.458 ' HB3' HD12 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -166.33 130.69 2.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 0.767 . . . . 0.0 109.279 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -142.24 119.72 11.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.317 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -115.94 165.52 13.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.567 HD23 ' HA ' ' A' ' 86' ' ' LYS . 13.0 mt -129.49 108.41 10.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.633 ' HB2' ' CZ ' ' A' ' 85' ' ' PHE . 98.5 m-85 -107.51 138.91 42.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.673 ' HG3' HG22 ' A' ' 84' ' ' VAL . 35.7 tt0 -113.48 99.98 8.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.572 1.17 . . . . 0.0 110.294 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.634 ' HA ' HD11 ' A' ' 14' ' ' LEU . . . -58.56 175.63 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.39 -23.47 30.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -170.1 -176.56 2.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -56.62 -39.09 73.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.296 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.84 -71.49 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -40.93 -43.35 2.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 110.293 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.75 ' HE3' HG22 ' A' ' 74' ' ' VAL . 8.9 ttp -63.13 -68.95 0.3 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 110.996 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.7 t -45.3 -50.95 11.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.986 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.742 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.3 OUTLIER -49.59 -59.07 4.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 110.04 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.579 ' CH2' ' HB3' ' A' ' 37' ' ' CYS . 24.0 m95 -42.95 -64.36 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 107.996 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.653 HD21 ' CG ' ' A' ' 85' ' ' PHE . 1.0 OUTLIER -44.18 -50.56 8.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.416 ' HB3' ' O ' ' A' ' 107' ' ' SER . 19.0 ttp85 -57.27 -34.96 69.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 110.296 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.966 HG12 HD22 ' A' ' 39' ' ' LEU . 23.1 t -78.84 -59.67 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.118 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.56 HG11 HD13 ' A' ' 87' ' ' LEU . 92.4 t -46.6 -38.71 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -71.33 -37.13 71.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 111' ' ' VAL . . . -68.15 -17.35 64.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.629 ' HB1' ' HA2' ' A' ' 42' ' ' GLY . . . -92.16 -45.9 8.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 109.288 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 29.0 mt -55.95 -62.26 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -49.19 -63.15 1.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.14 . . . . 0.0 109.23 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 6.3 t -45.37 -54.9 6.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.996 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 98.1 161.78 30.69 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.495 1.122 . . . . 0.0 110.972 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 72.06 4.81 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.548 1.815 . . . . 0.0 110.99 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 4.7 t 64.72 103.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.966 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 54.0 p -90.38 153.22 20.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.01 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.983 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 -179.994 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.964 -0.855 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.26 85.12 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 0.756 . . . . 0.0 109.995 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.3 m -55.81 -57.03 13.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 109.994 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.45 -104.37 1.31 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.4 m -93.24 125.0 37.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 0.767 . . . . 0.0 110.037 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.9 p -169.02 168.93 9.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.39 1.056 . . . . 0.0 110.017 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.61 113.66 0.37 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.546 1.154 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -123.37 104.94 9.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 0.802 . . . . 0.0 110.252 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.59 ' HA ' HD23 ' A' ' 39' ' ' LEU . 7.6 mp0 -98.41 144.89 27.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.256 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.9 ' HB2' HG11 ' A' ' 111' ' ' VAL . 7.1 ttt -143.35 128.07 18.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.478 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 8.2 pt-20 -142.07 124.41 15.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 110.264 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.44 159.72 32.68 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.539 1.149 . . . . 0.0 111.005 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.734 ' O ' HD12 ' A' ' 14' ' ' LEU . 1.8 mmt -58.49 124.44 19.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 0.795 . . . . 0.0 111.033 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.897 HD23 ' HB3' ' A' ' 97' ' ' PHE . 1.5 mp -145.64 154.77 42.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.438 ' O ' ' HA ' ' A' ' 97' ' ' PHE . 0.5 OUTLIER -97.35 97.14 8.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 108.328 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.562 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 15.6 ttp180 -87.44 120.1 28.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 110.265 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.516 ' HD2' ' CE2' ' A' ' 32' ' ' TRP . 6.0 tttt -124.86 97.92 5.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.8 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 14.2 tt0 -59.06 109.28 0.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.269 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -85.94 -48.36 8.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.315 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.462 ' HE3' ' O ' ' A' ' 25' ' ' LYS . 72.6 mmm -130.49 148.84 52.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.47 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 7.1 tt0 -106.49 -11.62 15.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.316 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.47 ' HB2' ' O ' ' A' ' 21' ' ' GLU . . . 176.98 158.89 0.35 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.273 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -39.9 109.02 0.1 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 110.941 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.01 -39.21 3.1 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.514 1.134 . . . . 0.0 111.034 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.462 ' O ' ' HE3' ' A' ' 20' ' ' MET . 0.0 OUTLIER -68.04 126.34 29.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 0.73 . . . . 0.0 109.327 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.411 ' N ' ' HE3' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -105.6 139.6 39.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.8 ' HB2' ' HG2' ' A' ' 18' ' ' GLN . . . -56.38 135.83 53.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.085 . . . . 0.0 109.251 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.99 -67.45 0.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.107 . . . . 0.0 109.319 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -54.33 -66.77 0.34 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.346 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.4 ' HA ' ' O ' ' A' ' 18' ' ' GLN . 2.8 ttt180 52.12 50.46 18.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 110.29 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 66.0 m -119.7 167.12 12.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.979 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.516 ' CE2' ' HD2' ' A' ' 17' ' ' LYS . 86.6 m95 -88.74 127.53 35.6 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.447 ' O ' HG23 ' A' ' 35' ' ' VAL . 30.5 mt-30 -146.95 135.63 22.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -68.78 103.74 1.85 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.492 ' CG1' ' HB3' ' A' ' 46' ' ' PHE . 23.5 t -125.06 124.01 66.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.68 ' CE1' ' HB2' ' A' ' 50' ' ' ALA . 57.3 t80 -72.68 111.76 8.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.814 ' SG ' HD11 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -76.82 131.44 38.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 108.327 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.449 HG23 ' CD2' ' A' ' 36' ' ' TYR . 19.0 t -128.88 105.01 12.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 1.082 HD22 HG12 ' A' ' 111' ' ' VAL . 0.7 OUTLIER -101.32 144.07 30.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.445 1.091 . . . . 0.0 109.276 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.454 ' HA ' ' CG ' ' A' ' 9' ' ' GLN . 1.5 tpt180 -137.83 -149.04 0.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.315 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 65.7 mtt85 -65.86 71.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 110.306 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 40' ' ' ARG . . . 74.8 55.38 5.4 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.45 ' O ' ' HA ' ' A' ' 39' ' ' LEU . 55.6 p -160.45 165.96 30.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 0.786 . . . . 0.0 110.012 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.814 HD11 ' SG ' ' A' ' 37' ' ' CYS . 46.9 tp -150.42 99.7 2.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -98.21 150.95 19.53 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.483 1.114 . . . . 0.0 111.048 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.59 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 64.2 m-85 -109.22 143.11 39.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 0.786 . . . . 0.0 110.99 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.59 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 28.1 m-85 -149.89 156.07 41.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.991 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 7.5 ttpt -48.64 -63.99 0.93 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.482 ' H ' ' HB3' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -147.18 -176.46 5.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.324 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.68 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . . . -65.44 -18.52 65.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.3 mmmt -83.93 -17.75 39.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.425 1.078 . . . . 0.0 109.307 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.482 ' HB3' ' H ' ' A' ' 49' ' ' ASP . . . -96.55 -15.0 21.86 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.423 1.077 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -85.55 -46.21 11.04 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.18 -38.82 90.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.996 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.12 -19.37 58.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.123 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 79.31 35.81 28.79 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.438 1.086 . . . . 0.0 111.016 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.403 ' N ' ' O ' ' A' ' 52' ' ' ALA . 39.8 t -103.44 119.37 55.16 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.472 0.748 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 134.93 18.39 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.484 1.781 . . . . 0.0 110.937 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -47.22 -65.49 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 111.011 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.7 m170 -122.5 45.19 2.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.589 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 53.68 19.2 9.25 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.47 1.107 . . . . 0.0 110.964 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -75.25 159.84 31.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 0.735 . . . . 0.0 110.265 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -104.73 168.6 8.24 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 152.91 41.47 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.518 1.799 . . . . 0.0 110.965 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.441 ' HB ' ' CD1' ' A' ' 89' ' ' LEU . 27.2 m -101.19 124.42 54.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.113 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.67 127.28 32.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 110.01 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.673 HD11 HD12 ' A' ' 39' ' ' LEU . 12.8 mt -88.04 43.38 1.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.512 ' HB3' HE21 ' A' ' 90' ' ' GLN . . . -84.43 115.39 22.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 63.58 21.32 12.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -84.61 172.11 11.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -145.19 137.6 25.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -123.64 122.32 4.84 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.466 1.104 . . . . 0.0 110.96 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.83 158.3 44.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 0.783 . . . . 0.0 110.022 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.686 HG22 ' CE ' ' A' ' 105' ' ' MET . 45.2 t -73.74 155.07 6.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' A' ' 84' ' ' VAL . . . -105.96 77.56 1.25 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -67.09 -37.99 84.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 111.004 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 79' ' ' ARG . 1.1 m-20 -52.38 -54.45 31.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.146 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.453 ' OH ' ' CZ2' ' A' ' 32' ' ' TRP . 8.7 t80 -43.12 95.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 110.968 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.428 ' N ' ' O ' ' A' ' 77' ' ' ASP . 0.0 OUTLIER -96.78 47.86 1.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 110.307 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.0 -63.04 1.41 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.258 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 13.7 mtt-85 -119.5 175.46 5.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.304 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.541 ' O ' ' CG ' ' A' ' 83' ' ' HIS . 6.8 mtpt -105.6 171.31 7.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.584 ' CE1' ' NE2' ' A' ' 98' ' ' GLN . 15.7 p80 49.51 61.91 2.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.575 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.773 HG22 ' HG3' ' A' ' 98' ' ' GLN . 60.0 t -131.25 117.77 37.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.602 ' CZ ' ' HB2' ' A' ' 97' ' ' PHE . 11.4 p90 -125.37 139.41 53.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.562 1.164 . . . . 0.0 111.005 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.2 ttmt -88.35 143.78 26.8 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.102 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.574 HD13 HG11 ' A' ' 112' ' ' VAL . 56.5 tp -126.11 99.44 5.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -95.52 114.56 4.91 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.498 1.124 . . . . 0.0 111.016 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.441 ' CD1' ' HB ' ' A' ' 65' ' ' VAL . 5.2 mt -74.41 -175.99 2.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 0.792 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.512 HE21 ' HB3' ' A' ' 68' ' ' ALA . 10.3 pt20 -88.5 -9.84 51.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 110.322 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -101.99 26.33 7.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 63.09 31.09 79.54 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.531 1.144 . . . . 0.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.85 108.7 20.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.485 0.756 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -102.6 140.96 36.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.16 . . . . 0.0 110.283 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.507 ' HB3' ' CE2' ' A' ' 97' ' ' PHE . 56.1 m-85 -136.52 149.89 48.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.464 1.102 . . . . 0.0 111.036 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.408 ' O ' ' O ' ' A' ' 15' ' ' CYS . 59.6 mt -121.12 111.98 18.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 109.342 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.897 ' HB3' HD23 ' A' ' 14' ' ' LEU . 95.8 m-85 -113.14 140.77 47.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.773 ' HG3' HG22 ' A' ' 84' ' ' VAL . 2.6 tt0 -115.46 114.07 24.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.298 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.651 ' HA ' HD11 ' A' ' 14' ' ' LEU . . . -76.67 -132.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -124.08 -41.68 2.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -150.08 -173.93 4.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -67.02 -9.05 34.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 110.337 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 104' ' ' GLU . . . -89.19 -71.66 0.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.554 ' HB3' ' HB1' ' A' ' 99' ' ' ALA . 2.0 tp10 -37.69 -44.27 0.7 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 110.307 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.686 ' CE ' HG22 ' A' ' 74' ' ' VAL . 5.2 ttp -68.15 -61.64 1.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 111.011 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.17 -39.44 0.92 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 110.005 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.799 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.3 OUTLIER -66.86 -50.81 61.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 110.008 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.574 ' CD1' ' HE1' ' A' ' 10' ' ' MET . 19.3 m95 -44.04 -62.15 1.23 Allowed 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.574 HD21 ' CG ' ' A' ' 85' ' ' PHE . 0.4 OUTLIER -45.62 -51.59 11.93 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 24.7 ttp85 -55.55 -32.6 63.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.296 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 1.082 HG12 HD22 ' A' ' 39' ' ' LEU . 20.3 t -80.94 -55.69 7.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.574 HG11 HD13 ' A' ' 87' ' ' LEU . 90.7 t -50.75 -39.36 18.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -71.86 -37.27 70.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -71.71 -16.01 62.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.715 ' HB2' HD21 ' A' ' 39' ' ' LEU . . . -91.4 -42.58 10.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 32.7 mt -55.65 -59.31 2.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 0.0 109.295 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 118' ' ' SER . . . -50.65 -58.65 5.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 117' ' ' ALA . 0.2 OUTLIER -38.47 -37.01 0.27 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.985 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -72.16 -152.0 1.39 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.45 1.094 . . . . 0.0 110.967 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.494 ' HG2' ' HB1' ' A' ' 68' ' ' ALA . 18.4 Cg_endo -74.95 -167.61 0.44 Allowed 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.515 1.797 . . . . 0.0 110.996 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.7 t 70.93 -66.67 0.28 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.993 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 6.1 t -109.55 168.79 9.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.004 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 179.995 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -166.48 112.9 0.84 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 0.76 . . . . 0.0 110.036 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.5 118.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 109.988 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.27 -70.7 0.04 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.527 1.142 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.3 t -162.14 150.6 14.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 0.778 . . . . 0.0 110.002 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -54.85 151.06 9.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.113 . . . . 0.0 109.975 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.18 -157.24 9.28 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -85.26 93.78 8.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 0.76 . . . . 0.0 110.315 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.4 ' HA ' HD23 ' A' ' 39' ' ' LEU . 44.5 mt-30 -105.62 147.11 28.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.16 . . . . 0.0 110.265 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.711 ' HB2' HG11 ' A' ' 111' ' ' VAL . 7.1 ttt -146.48 131.46 18.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 111.048 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.435 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 7.0 pt-20 -144.82 131.44 19.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.301 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -172.51 163.29 35.3 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.418 1.074 . . . . 0.0 111.041 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.662 ' O ' HD12 ' A' ' 14' ' ' LEU . 1.0 OUTLIER -66.46 116.55 7.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 0.789 . . . . 0.0 110.955 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.662 HD12 ' O ' ' A' ' 13' ' ' MET . 2.0 mp -134.97 152.41 51.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -91.53 96.47 10.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 108.273 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.575 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 16.7 ttp180 -88.11 119.48 28.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.334 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.439 ' O ' ' OE2' ' A' ' 19' ' ' GLU . 2.3 tttt -124.34 97.3 5.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.456 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 21.5 tt0 -61.59 123.58 18.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.477 ' OE2' ' N ' ' A' ' 96' ' ' LEU . 1.1 mp0 -106.6 -51.98 2.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.403 ' SD ' ' OE1' ' A' ' 94' ' ' GLU . 11.9 mtp -120.9 154.88 35.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.483 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 11.4 tt0 -113.43 -11.62 13.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.148 . . . . 0.0 110.294 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.483 ' HB2' ' O ' ' A' ' 21' ' ' GLU . . . 176.09 173.52 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -47.88 114.5 0.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 60.82 18.41 53.22 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.409 ' CG ' ' HB3' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -101.8 118.31 36.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 0.742 . . . . 0.0 109.339 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.5 pttm -85.9 124.39 32.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 109.266 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.456 ' CB ' ' HG2' ' A' ' 18' ' ' GLN . . . -67.8 145.2 54.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -56.22 -77.78 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.0 p-10 -94.77 126.98 40.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.3 mtm180 -130.72 61.72 1.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.66 158.3 18.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 110.018 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.43 ' CZ2' ' OH ' ' A' ' 78' ' ' TYR . 86.4 m95 -80.47 126.93 31.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 108.006 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.415 ' O ' HG23 ' A' ' 35' ' ' VAL . 43.0 mt-30 -146.95 140.37 25.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.304 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.1 p-10 -70.39 103.96 2.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.456 ' CG1' ' HB3' ' A' ' 46' ' ' PHE . 26.0 t -120.7 126.14 74.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.123 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.442 ' HD2' ' HB2' ' A' ' 53' ' ' ALA . 10.0 t80 -72.65 106.45 4.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 111.031 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.62 ' SG ' ' CE1' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -77.66 128.42 34.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 108.285 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 64.3 t -125.75 104.93 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.87 ' CD2' HG12 ' A' ' 111' ' ' VAL . 0.6 OUTLIER -100.98 139.63 36.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.271 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 42' ' ' GLY . 2.3 tpt180 -134.97 -148.44 0.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 110.271 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.99 71.5 0.06 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 40' ' ' ARG . . . 74.19 56.07 5.4 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.483 1.114 . . . . 0.0 110.966 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.436 ' O ' ' HA ' ' A' ' 39' ' ' LEU . 59.3 p -160.31 166.54 29.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 0.768 . . . . 0.0 110.004 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.606 HD11 ' SG ' ' A' ' 37' ' ' CYS . 40.9 tp -150.23 98.82 2.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -97.92 146.03 18.04 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.522 1.139 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.589 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 65.4 m-85 -108.83 141.21 41.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 0.79 . . . . 0.0 110.952 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.589 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 21.5 m-85 -149.55 152.77 36.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.976 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.512 ' O ' ' HE1' ' A' ' 13' ' ' MET . 8.0 tptm -44.56 -62.39 1.21 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.483 ' HA ' ' HE3' ' A' ' 13' ' ' MET . 1.4 m-20 -155.98 -175.68 5.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.77 -13.52 34.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.6 mmmt -79.38 -38.69 34.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.12 -55.29 5.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.489 ' HA ' ' CD2' ' A' ' 47' ' ' TYR . . . -48.45 -42.14 31.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.3 t -59.46 -46.79 87.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.036 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -80.66 2.07 27.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 109.343 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 62.75 40.82 99.68 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 81.5 t -106.41 121.12 46.37 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.505 0.768 . . . . 0.0 109.288 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 133.11 16.2 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.533 1.807 . . . . 0.0 110.965 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.441 ' CD2' ' CD2' ' A' ' 60' ' ' HIS . 25.7 t80 -47.08 -67.43 0.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.441 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 15.6 m170 -117.22 47.59 1.48 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.607 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 48.72 23.72 3.6 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.538 1.148 . . . . 0.0 111.019 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -81.16 159.41 24.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 0.74 . . . . 0.0 110.309 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.406 ' HB ' ' HD2' ' A' ' 64' ' ' PRO . 0.0 OUTLIER -105.13 168.9 7.73 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.406 ' HD2' ' HB ' ' A' ' 63' ' ' VAL . 18.3 Cg_endo -74.98 150.94 38.99 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.466 1.772 . . . . 0.0 111.022 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.435 ' CG2' ' HB3' ' A' ' 44' ' ' LEU . 27.2 m -99.78 124.89 53.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.277 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 58.3 m -73.47 127.39 32.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.969 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.612 HD11 HD12 ' A' ' 39' ' ' LEU . 9.3 mt -88.39 45.44 1.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.329 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -85.98 109.09 18.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.266 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.5 mtm180 69.87 19.39 7.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 110.321 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.423 ' HB3' HG12 ' A' ' 116' ' ' ILE . . . -81.21 175.71 10.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -149.99 135.0 17.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 110.321 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -119.63 126.8 6.88 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 110.951 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.79 159.78 40.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 0.748 . . . . 0.0 109.997 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.676 HG22 ' CE ' ' A' ' 105' ' ' MET . 37.7 t -79.43 151.38 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' A' ' 84' ' ' VAL . . . -97.38 80.97 2.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -72.29 -28.92 63.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 110.981 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.24 -53.82 38.58 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.43 ' OH ' ' CZ2' ' A' ' 32' ' ' TRP . 9.4 t80 -42.9 99.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -100.62 61.75 1.02 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.097 . . . . 0.0 110.335 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.38 -72.32 0.36 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.41 ' HB3' ' NE2' ' A' ' 98' ' ' GLN . 2.5 mpt_? -105.91 153.31 22.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.533 ' O ' ' CG ' ' A' ' 83' ' ' HIS . 8.8 mttp -89.26 171.0 10.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.607 ' CE1' ' HG2' ' A' ' 98' ' ' GLN . 13.7 p80 49.36 63.8 2.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.607 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.8 HG22 ' HG3' ' A' ' 98' ' ' GLN . 62.8 t -130.57 117.29 38.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.601 ' CZ ' ' HB2' ' A' ' 97' ' ' PHE . 11.8 p90 -124.59 134.21 53.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 111.024 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.405 ' HA ' ' O ' ' A' ' 95' ' ' TYR . 33.5 ttmt -87.28 140.38 29.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.51 HD13 HG11 ' A' ' 112' ' ' VAL . 45.7 tp -122.59 101.06 7.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -99.33 114.21 4.96 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.4 ' CD1' ' HB ' ' A' ' 65' ' ' VAL . 7.4 mt -75.18 171.93 13.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 0.785 . . . . 0.0 109.359 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -75.96 -14.6 60.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 110.281 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.98 16.6 9.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.349 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 69.17 32.88 72.94 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.46 1.1 . . . . 0.0 111.026 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.411 ' NZ ' ' HB2' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -102.66 110.46 22.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 0.754 . . . . 0.0 109.327 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.403 ' OE1' ' SD ' ' A' ' 20' ' ' MET . 0.7 OUTLIER -100.43 136.89 39.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.122 . . . . 0.0 110.318 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.408 ' C ' ' OE2' ' A' ' 19' ' ' GLU . 52.3 m-85 -133.84 154.21 51.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 111.016 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.477 ' N ' ' OE2' ' A' ' 19' ' ' GLU . 47.3 mt -125.5 121.26 33.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.252 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.654 ' HB3' HD23 ' A' ' 14' ' ' LEU . 77.7 m-85 -121.2 150.22 41.65 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.115 . . . . 0.0 110.954 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.8 ' HG3' HG22 ' A' ' 84' ' ' VAL . 6.3 tt0 -127.91 108.88 11.07 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.46 1.1 . . . . 0.0 110.295 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.603 ' HA ' HD11 ' A' ' 14' ' ' LEU . . . -74.47 -132.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.13 -42.53 2.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 109.332 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -148.59 -175.49 4.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.128 . . . . 0.0 109.301 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -65.84 -10.14 35.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.145 . . . . 0.0 110.326 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 104' ' ' GLU . . . -87.55 -71.67 0.56 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.56 ' HB3' ' HB1' ' A' ' 99' ' ' ALA . 6.5 tp10 -38.45 -42.97 0.79 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.103 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.676 ' CE ' HG22 ' A' ' 74' ' ' VAL . 5.8 ttp -69.58 -61.06 1.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 111.015 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.1 m -40.64 -39.89 1.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 110.007 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.852 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.3 OUTLIER -65.15 -51.51 60.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.023 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.525 ' CE2' ' HG2' ' A' ' 10' ' ' MET . 26.1 m95 -43.73 -64.54 0.64 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 108.003 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.578 HD21 ' CG ' ' A' ' 85' ' ' PHE . 0.5 OUTLIER -44.57 -51.89 8.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.257 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.403 ' HB3' ' O ' ' A' ' 107' ' ' SER . 32.1 ttp180 -54.56 -33.0 59.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.87 HG12 ' CD2' ' A' ' 39' ' ' LEU . 16.1 t -81.17 -57.58 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.51 HG11 HD13 ' A' ' 87' ' ' LEU . 93.7 t -48.54 -40.38 10.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -71.41 -36.11 71.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -73.06 -16.29 61.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 109.343 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.478 ' HB2' HD21 ' A' ' 39' ' ' LEU . . . -92.01 -44.35 8.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.423 HG12 ' HB3' ' A' ' 70' ' ' ALA . 40.4 mt -53.66 -60.14 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.272 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -49.48 -60.54 2.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.39 -55.6 1.73 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 109.966 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 91.55 157.19 33.46 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.547 1.154 . . . . 0.0 111.022 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 168.02 25.75 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.526 1.803 . . . . 0.0 111.017 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.24 141.86 58.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.994 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.69 -56.87 4.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.975 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.468 1.105 . . . . 0.0 111.011 179.957 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 m 48.62 79.89 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 0.748 . . . . 0.0 109.993 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.9 t -156.07 -57.98 0.09 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.151 . . . . 0.0 110.0 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.82 115.8 0.72 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.5 1.125 . . . . 0.0 111.035 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 t -154.67 84.42 1.1 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 0.767 . . . . 0.0 109.975 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 t -177.95 124.92 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.988 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.38 58.12 9.2 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -126.8 120.2 28.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 0.749 . . . . 0.0 110.288 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.698 ' HA ' HD23 ' A' ' 39' ' ' LEU . 5.1 pm0 -104.61 144.74 31.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.639 ' HB2' HG11 ' A' ' 111' ' ' VAL . 9.0 ttt -143.32 134.56 25.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.482 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 1.3 pm0 -144.54 124.37 13.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 110.323 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -168.94 161.24 34.91 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.514 1.134 . . . . 0.0 111.011 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.73 ' O ' HD12 ' A' ' 14' ' ' LEU . 1.9 mmt -58.99 126.18 26.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 0.721 . . . . 0.0 111.039 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.908 HD23 ' HB3' ' A' ' 97' ' ' PHE . 1.4 mp -146.48 154.86 42.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.552 1.157 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.436 ' O ' ' HA ' ' A' ' 97' ' ' PHE . 0.5 OUTLIER -96.88 95.69 8.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 108.343 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.565 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 12.2 ttp180 -87.78 123.69 32.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.512 ' HD2' ' CE2' ' A' ' 32' ' ' TRP . 21.5 tttt -124.57 94.95 4.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.274 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.705 ' HG2' ' HB1' ' A' ' 27' ' ' ALA . 2.0 tp60 -60.08 122.54 14.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 110.32 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -107.06 -48.86 3.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.239 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.456 ' CE ' ' O ' ' A' ' 25' ' ' LYS . 90.2 mmm -130.53 140.65 50.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 111.054 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.566 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 6.9 tt0 -107.78 -9.57 15.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.566 ' HB2' ' O ' ' A' ' 21' ' ' GLU . . . 172.09 153.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.343 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.549 ' CZ ' ' HB3' ' A' ' 91' ' ' ASP . 84.0 m-85 -39.65 115.45 0.52 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.19 -43.54 3.26 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.551 1.157 . . . . 0.0 111.004 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.479 ' CE ' ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -60.11 119.99 8.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 0.797 . . . . 0.0 109.319 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.479 ' O ' ' CE ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -92.5 139.51 30.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.327 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.705 ' HB1' ' HG2' ' A' ' 18' ' ' GLN . . . -64.33 115.09 4.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.62 -67.56 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -92.28 107.56 19.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -107.86 54.8 0.66 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 110.32 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.58 163.99 17.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 110.025 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.527 ' CZ2' ' OH ' ' A' ' 78' ' ' TYR . 86.9 m95 -85.68 132.99 34.05 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.505 ' O ' HG23 ' A' ' 35' ' ' VAL . 82.1 mm-40 -147.42 134.51 20.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.241 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -66.48 103.79 1.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 33' ' ' GLN . 25.7 t -126.17 123.98 64.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 0.0 109.29 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.419 ' CD2' HG23 ' A' ' 38' ' ' VAL . 53.0 t80 -71.32 114.88 9.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 111.02 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.762 ' SG ' HD11 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -80.3 130.84 35.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 108.326 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.419 HG23 ' CD2' ' A' ' 36' ' ' TYR . 31.8 t -128.27 104.74 12.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.349 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.981 HD22 HG12 ' A' ' 111' ' ' VAL . 0.8 OUTLIER -101.1 144.12 30.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 42' ' ' GLY . 4.0 tpt180 -136.65 -148.04 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 110.339 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.67 69.09 0.07 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.503 1.127 . . . . 0.0 110.273 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 40' ' ' ARG . . . 77.28 56.2 4.06 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.436 ' O ' ' HA ' ' A' ' 39' ' ' LEU . 54.0 p -160.17 167.01 28.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 0.764 . . . . 0.0 110.011 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.762 HD11 ' SG ' ' A' ' 37' ' ' CYS . 52.3 tp -150.1 99.36 2.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -98.32 151.76 19.66 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.504 1.128 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.616 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 61.4 m-85 -109.93 141.67 42.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.753 . . . . 0.0 110.976 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.616 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 19.7 m-85 -149.37 157.85 43.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.538 ' O ' ' HE3' ' A' ' 13' ' ' MET . 0.1 OUTLIER -50.2 -67.05 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.416 ' HA ' ' HE2' ' A' ' 13' ' ' MET . 1.4 m-20 -151.28 -175.75 5.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.95 -13.88 29.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 109.279 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.57 -35.82 45.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -81.81 -42.19 20.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.291 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.98 -37.02 71.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.3 t -71.43 -37.75 71.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.013 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.526 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -88.86 12.54 14.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 0.0 109.267 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 47.48 40.38 16.26 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 55' ' ' ALA . 95.9 t -104.51 120.71 49.62 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.53 0.782 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 134.75 18.32 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.485 1.781 . . . . 0.0 111.012 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -48.17 -66.7 0.36 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 13.2 m170 -119.24 46.27 1.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.588 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 48.85 30.41 9.07 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.517 1.136 . . . . 0.0 111.024 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -87.19 162.74 17.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 110.25 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -105.77 168.53 8.13 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.45 1.094 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 149.36 36.87 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.549 1.815 . . . . 0.0 111.053 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.41 HG22 ' O ' ' A' ' 44' ' ' LEU . 34.3 m -97.24 129.35 47.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.73 124.67 27.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.023 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.754 HD11 HD12 ' A' ' 39' ' ' LEU . 11.7 mt -84.14 49.9 1.74 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.418 ' HB1' ' HD2' ' A' ' 69' ' ' ARG . . . -83.89 118.99 24.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.132 . . . . 0.0 109.253 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.418 ' HD2' ' HB1' ' A' ' 68' ' ' ALA . 0.2 OUTLIER 61.81 14.96 6.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.447 ' O ' HD13 ' A' ' 116' ' ' ILE . . . -78.93 167.87 20.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.54 146.69 26.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.15 . . . . 0.0 110.335 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.451 ' C ' ' CD1' ' A' ' 109' ' ' LEU . . . -116.47 123.38 5.83 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.49 1.119 . . . . 0.0 110.985 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.9 t -138.0 152.47 48.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.469 0.747 . . . . 0.0 110.037 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.87 HG22 ' HE3' ' A' ' 105' ' ' MET . 58.7 t -73.88 141.52 16.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -96.94 53.08 1.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.34 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -52.67 -19.33 2.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.945 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.85 -39.66 69.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.527 ' OH ' ' CZ2' ' A' ' 32' ' ' TRP . 21.9 t80 -52.09 115.92 1.94 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 111.028 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.1 mmt180 -112.32 78.67 1.14 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 110.269 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.34 -56.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -102.67 -179.33 3.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.281 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 19.5 mttp -120.14 150.94 39.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.44 ' HA ' ' SD ' ' A' ' 105' ' ' MET . 0.0 OUTLIER 46.06 78.18 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.597 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.424 HG22 ' CB ' ' A' ' 98' ' ' GLN . 84.0 t -136.0 128.98 46.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.706 ' CG ' HD21 ' A' ' 109' ' ' LEU . 39.9 p90 -121.55 138.97 54.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.994 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.524 ' HA ' HD23 ' A' ' 96' ' ' LEU . 0.1 OUTLIER -86.46 118.13 25.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.508 HD13 HG11 ' A' ' 112' ' ' VAL . 29.2 tp -94.39 98.26 10.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -94.68 114.34 4.8 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.457 1.098 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.693 HD12 ' HD2' ' A' ' 93' ' ' LYS . 5.8 mt -70.79 -119.61 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 0.74 . . . . 0.0 109.283 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.581 ' O ' ' CB ' ' A' ' 91' ' ' ASP . 0.4 OUTLIER -83.82 20.7 1.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.337 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.581 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 25.7 t0 89.03 -25.26 0.08 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.466 ' O ' ' CA ' ' A' ' 22' ' ' ALA . . . -88.03 -16.95 58.64 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.693 ' HD2' HD12 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -124.89 120.21 31.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 0.737 . . . . 0.0 109.315 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -127.53 144.39 51.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.292 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.462 ' HB3' ' CE2' ' A' ' 97' ' ' PHE . 79.4 m-85 -140.87 162.93 34.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.524 HD23 ' HA ' ' A' ' 86' ' ' LYS . 72.0 mt -132.48 112.01 11.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.908 ' HB3' HD23 ' A' ' 14' ' ' LEU . 92.7 m-85 -115.17 134.59 55.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 110.976 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.424 ' CB ' HG22 ' A' ' 84' ' ' VAL . 7.9 tt0 -106.12 106.41 16.91 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.121 . . . . 0.0 110.344 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.701 ' HA ' HD11 ' A' ' 14' ' ' LEU . . . -70.29 159.77 33.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.42 ' CG ' ' N ' ' A' ' 101' ' ' ASP . 0.0 OUTLIER -58.67 -47.08 85.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.42 ' N ' ' CG ' ' A' ' 100' ' ' LYS . 1.3 m-20 -156.23 -175.91 5.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.343 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -51.81 -31.05 25.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.346 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.33 -71.2 0.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.566 ' HG3' ' CD1' ' A' ' 108' ' ' TRP . 1.6 tt0 -46.99 -43.37 19.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 110.282 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.87 ' HE3' HG22 ' A' ' 74' ' ' VAL . 5.0 ttp -62.04 -69.65 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.959 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 5.3 t -43.01 -49.51 6.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.969 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.888 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.3 OUTLIER -58.37 -55.83 29.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.993 179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.566 ' CD1' ' HG3' ' A' ' 104' ' ' GLU . 19.5 m95 -43.91 -66.84 0.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 107.983 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.706 HD21 ' CG ' ' A' ' 85' ' ' PHE . 3.9 mm? -43.95 -50.55 8.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.115 . . . . 0.0 109.346 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 -57.27 -41.97 80.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 0.0 110.306 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.981 HG12 HD22 ' A' ' 39' ' ' LEU . 17.8 t -71.62 -60.71 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.508 HG11 HD13 ' A' ' 87' ' ' LEU . 77.2 t -43.84 -41.15 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -70.74 -38.4 73.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 111' ' ' VAL . . . -69.59 -20.45 63.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.785 ' HB2' HD21 ' A' ' 39' ' ' LEU . . . -86.67 -47.58 9.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.447 HD13 ' O ' ' A' ' 70' ' ' ALA . 20.3 mt -45.04 -61.82 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 116' ' ' ILE . . . -40.08 -59.35 1.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 119' ' ' GLY . 0.2 OUTLIER -57.45 -68.25 0.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.147 . . . . 0.0 109.988 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 118' ' ' SER . . . 34.58 -117.65 0.24 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 146.56 32.84 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.537 1.809 . . . . 0.0 110.988 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 95.3 p -126.28 156.4 40.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.113 . . . . 0.0 109.981 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 52.1 m 47.69 87.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 110.03 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.49 1.119 . . . . 0.0 110.995 -179.996 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.1 t -91.84 106.46 18.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 0.785 . . . . 0.0 110.02 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.2 m -163.09 143.15 9.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.979 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.61 -109.93 2.36 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.554 1.159 . . . . 0.0 111.004 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 t -61.81 163.14 7.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 0.771 . . . . 0.0 109.975 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.0 m -99.29 80.3 2.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.963 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.23 156.75 2.33 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.456 1.097 . . . . 0.0 111.01 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -87.46 101.12 13.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 0.732 . . . . 0.0 110.283 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.493 ' HA ' HD23 ' A' ' 39' ' ' LEU . 0.5 OUTLIER -103.59 155.38 18.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.298 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.58 ' CB ' HG11 ' A' ' 111' ' ' VAL . 7.3 ttt -157.09 127.89 6.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.461 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 11.6 pt-20 -143.06 123.25 13.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.305 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -167.21 160.01 33.55 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.457 1.098 . . . . 0.0 111.048 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.732 ' O ' HD12 ' A' ' 14' ' ' LEU . 2.3 mmt -58.65 125.02 21.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 0.766 . . . . 0.0 111.009 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.773 HD23 ' HB3' ' A' ' 97' ' ' PHE . 1.4 mp -146.87 150.65 35.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 109.265 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.437 ' O ' ' HA ' ' A' ' 97' ' ' PHE . 0.3 OUTLIER -93.67 96.32 9.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 108.319 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.56 ' HG3' ' CZ ' ' A' ' 97' ' ' PHE . 6.6 ttp180 -87.78 114.88 24.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 110.318 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.506 ' HD2' ' CE2' ' A' ' 32' ' ' TRP . 8.5 tttm -124.4 105.54 9.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.301 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.724 ' CD ' ' HB2' ' A' ' 27' ' ' ALA . 0.9 OUTLIER -58.53 147.76 30.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.289 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.45 ' N ' ' OE1' ' A' ' 18' ' ' GLN . 1.6 mm-40 -121.94 -46.96 2.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.256 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.43 ' N ' ' OE1' ' A' ' 18' ' ' GLN . 24.1 mtp -137.99 144.91 41.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.102 . . . . 0.0 110.985 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.467 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 10.8 tt0 -98.88 -11.5 21.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.275 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.467 ' HB2' ' O ' ' A' ' 21' ' ' GLU . . . 176.61 169.71 0.48 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 47.4 m-85 -47.19 112.7 0.56 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 110.987 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 66.43 28.57 73.8 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.522 1.139 . . . . 0.0 110.963 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.51 ' CE ' ' O ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -128.57 132.15 48.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 0.796 . . . . 0.0 109.287 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.51 ' O ' ' CE ' ' A' ' 25' ' ' LYS . 15.9 pttt -106.96 146.84 30.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.724 ' HB2' ' CD ' ' A' ' 18' ' ' GLN . . . -69.98 127.28 32.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.55 -76.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 45.1 t30 -110.24 95.96 5.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.594 ' CD ' ' HB3' ' A' ' 27' ' ' ALA . 0.5 OUTLIER -122.54 95.88 4.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.304 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.3 m -119.34 165.05 14.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.997 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.506 ' CE2' ' HD2' ' A' ' 17' ' ' LYS . 90.8 m95 -68.06 119.93 13.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 108.009 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.558 ' O ' HG23 ' A' ' 35' ' ' VAL . 31.3 mt-30 -142.61 131.1 22.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -64.34 103.38 0.63 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 33' ' ' GLN . 41.0 t -124.04 122.85 65.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.524 ' CE1' ' HB2' ' A' ' 50' ' ' ALA . 57.7 t80 -72.28 111.05 7.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 111.022 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.707 ' SG ' HD11 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -74.07 132.27 42.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 108.312 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 55.9 t -130.54 105.87 12.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.35 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 1.111 HD22 HG12 ' A' ' 111' ' ' VAL . 0.6 OUTLIER -99.71 139.56 35.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 178.08 137.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.266 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.3 ttt180 67.88 7.92 6.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 110.312 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.725 ' HA2' ' HB1' ' A' ' 115' ' ' ALA . . . 87.78 27.88 25.42 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.502 1.126 . . . . 0.0 110.982 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 17.4 p -134.29 134.61 42.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 0.761 . . . . 0.0 109.998 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.707 HD11 ' SG ' ' A' ' 37' ' ' CYS . 33.5 tp -96.55 112.71 24.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.259 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -103.27 143.07 15.67 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.46 1.1 . . . . 0.0 111.032 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.541 ' HB3' HG11 ' A' ' 35' ' ' VAL . 35.1 m-85 -104.8 139.97 38.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.771 . . . . 0.0 110.949 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.512 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 46.7 m-85 -148.35 168.65 22.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.454 1.096 . . . . 0.0 111.04 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.8 ttpp -64.81 -58.84 5.14 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.568 ' H ' ' HB3' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -150.59 -178.36 6.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.318 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.524 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . . . -63.4 -16.4 60.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.5 mmtt -87.51 -18.9 28.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.568 ' HB3' ' H ' ' A' ' 49' ' ' ASP . . . -95.11 -15.53 23.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 109.258 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.506 ' HA ' ' CD2' ' A' ' 47' ' ' TYR . . . -83.24 -46.8 12.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.5 t -67.8 -39.83 83.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.997 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.32 -10.84 60.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.96 26.88 71.56 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 52' ' ' ALA . 58.1 t -94.34 113.8 61.75 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 139.04 23.87 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.477 1.777 . . . . 0.0 111.045 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -48.17 -64.96 0.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -125.46 40.39 3.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.148 . . . . 0.0 109.556 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 58.38 16.35 27.8 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.512 1.132 . . . . 0.0 111.004 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -79.88 135.27 36.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 0.747 . . . . 0.0 110.279 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.408 HG13 ' H ' ' A' ' 63' ' ' VAL . 0.8 OUTLIER -77.24 168.9 24.14 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 143.35 28.95 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.498 1.788 . . . . 0.0 110.977 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 16.9 m -88.09 123.62 40.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.366 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.0 p -66.79 128.79 37.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.1 . . . . 0.0 109.995 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.619 HD11 HD12 ' A' ' 39' ' ' LEU . 9.0 mt -93.2 28.67 2.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -78.58 113.93 17.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.5 mtm180 69.18 18.4 8.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.297 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -79.38 171.54 15.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.45 ' O ' HD12 ' A' ' 87' ' ' LEU . 2.6 mm-40 -129.76 129.19 43.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.268 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -118.26 112.39 2.38 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.111 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.21 160.18 39.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 0.769 . . . . 0.0 110.004 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.562 HG21 ' CZ ' ' A' ' 76' ' ' PHE . 0.9 OUTLIER -84.83 163.69 2.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -125.65 67.14 1.16 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.562 ' CZ ' HG21 ' A' ' 74' ' ' VAL . 12.0 m-85 -57.39 -23.94 52.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.125 . . . . 0.0 111.051 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.76 -28.04 63.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.318 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -80.1 108.21 13.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 111.012 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.2 mtm-85 -93.34 -33.85 13.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.269 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 3.1 mmtp -44.51 -79.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 109.277 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.454 ' O ' ' CG2' ' A' ' 84' ' ' VAL . 2.9 mpt_? -92.54 117.52 30.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.283 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.27 162.79 24.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.551 ' CD2' ' HA ' ' A' ' 101' ' ' ASP . 0.1 OUTLIER 50.43 66.16 1.24 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.578 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.454 ' CG2' ' O ' ' A' ' 81' ' ' ARG . 70.9 t -131.04 121.61 49.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.27 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.598 ' CG ' HD21 ' A' ' 109' ' ' LEU . 14.8 p90 -119.71 151.21 39.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 111.009 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.5 ttmt -98.55 137.57 37.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.335 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.45 HD12 ' O ' ' A' ' 71' ' ' GLN . 47.3 tp -119.87 103.61 9.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -99.92 114.97 5.18 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.476 1.11 . . . . 0.0 110.976 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 8.0 mt -75.96 170.55 16.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 0.775 . . . . 0.0 109.257 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -75.64 -14.99 60.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.269 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -91.32 21.28 4.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 64.82 34.31 89.55 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.542 1.151 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 20' ' ' MET . 0.0 OUTLIER -105.49 113.46 27.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 0.742 . . . . 0.0 109.286 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -103.58 132.62 49.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.52 ' CE1' ' HG2' ' A' ' 18' ' ' GLN . 46.0 m-85 -129.16 158.54 38.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 96' ' ' LEU . 17.0 mt -125.16 121.7 34.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.773 ' HB3' HD23 ' A' ' 14' ' ' LEU . 98.1 m-85 -124.0 130.19 52.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 111.017 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.431 ' HG3' ' CG2' ' A' ' 84' ' ' VAL . 33.4 tt0 -104.16 119.81 39.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.539 ' HA ' HD11 ' A' ' 14' ' ' LEU . . . -83.88 170.9 13.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.401 ' O ' ' CG ' ' A' ' 101' ' ' ASP . 0.1 OUTLIER -75.97 -23.66 55.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.108 . . . . 0.0 109.291 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.551 ' HA ' ' CD2' ' A' ' 83' ' ' HIS . 61.0 m-20 -168.29 -175.92 2.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.253 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -63.22 -29.72 71.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.291 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -69.95 -66.87 0.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.511 ' HB3' ' HB1' ' A' ' 99' ' ' ALA . 0.4 OUTLIER -38.76 -47.53 1.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.553 ' SD ' ' N ' ' A' ' 106' ' ' SER . 3.1 tmm? -62.55 -69.62 0.25 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.963 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.553 ' N ' ' SD ' ' A' ' 105' ' ' MET . 1.3 t -35.37 -47.25 0.42 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 109.999 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.889 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.4 OUTLIER -57.95 -52.38 65.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.016 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.57 ' CH2' ' HB3' ' A' ' 37' ' ' CYS . 33.4 m95 -47.52 -66.13 0.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 108.028 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.598 HD21 ' CG ' ' A' ' 85' ' ' PHE . 1.2 mm? -42.85 -48.78 5.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 15.3 ttt85 -59.17 -38.0 78.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 110.29 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 1.111 HG12 HD22 ' A' ' 39' ' ' LEU . 21.7 t -76.63 -59.88 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.47 ' N ' ' O ' ' A' ' 108' ' ' TRP . 83.5 t -46.42 -36.58 2.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . 0.406 ' ND2' ' O ' ' A' ' 109' ' ' LEU . 14.1 m-80 -71.84 -37.75 70.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 111' ' ' VAL . . . -68.12 -16.48 64.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.725 ' HB1' ' HA2' ' A' ' 42' ' ' GLY . . . -92.98 -38.87 11.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 67.9 mt -63.35 -56.24 18.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 0.0 109.352 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -52.5 -47.05 66.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.4 m -78.86 54.41 1.55 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.026 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -111.16 -164.29 18.26 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.521 1.138 . . . . 0.0 111.004 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 116.07 4.47 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.544 1.813 . . . . 0.0 110.979 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.74 169.51 2.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.996 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 72.47 -61.52 0.5 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.008 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 O-C-N 124.455 1.097 . . . . 0.0 111.007 -179.982 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t 63.34 106.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.572 0.807 . . . . 0.0 110.001 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.4 t 50.65 85.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.006 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.81 150.54 7.7 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.549 1.156 . . . . 0.0 110.931 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.82 152.56 17.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 0.766 . . . . 0.0 110.016 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.5 p -92.87 -67.71 0.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.994 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.11 -176.08 36.41 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.518 1.136 . . . . 0.0 110.981 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -121.41 127.4 51.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 0.766 . . . . 0.0 110.257 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.746 ' HA ' HD23 ' A' ' 39' ' ' LEU . 2.2 pm0 -122.58 146.75 47.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.29 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.661 ' HB2' HG11 ' A' ' 111' ' ' VAL . 7.9 ttt -146.81 129.57 16.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 110.96 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.478 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 7.7 pt-20 -138.64 126.58 22.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.59 153.62 22.1 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.495 1.122 . . . . 0.0 110.962 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.639 ' O ' HD12 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -58.69 123.22 15.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 0.782 . . . . 0.0 110.959 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.639 HD12 ' O ' ' A' ' 13' ' ' MET . 1.2 mp -141.25 157.55 45.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.338 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -96.43 96.3 8.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.128 . . . . 0.0 108.254 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.529 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 8.8 ttp180 -88.63 121.18 30.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.302 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.508 ' HD2' ' CE2' ' A' ' 32' ' ' TRP . 16.5 tttt -124.86 98.3 5.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.721 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 38.7 tt0 -60.34 109.04 0.9 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.287 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -90.41 -46.48 8.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.27 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.467 ' CE ' ' O ' ' A' ' 25' ' ' LYS . 5.2 mtp -126.98 143.11 51.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.127 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.518 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 9.9 tt0 -104.04 -10.76 17.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.518 ' HB2' ' O ' ' A' ' 21' ' ' GLU . . . 174.84 171.84 0.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -48.4 113.83 0.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 110.979 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 65.54 17.83 64.97 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.454 1.096 . . . . 0.0 110.978 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.467 ' O ' ' CE ' ' A' ' 20' ' ' MET . 0.0 OUTLIER -109.21 127.58 54.35 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 0.78 . . . . 0.0 109.273 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.91 141.68 32.4 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.721 ' HB2' ' HG2' ' A' ' 18' ' ' GLN . . . -72.49 132.29 43.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.24 -68.05 0.21 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 109.258 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -57.43 -68.27 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.428 ' HA ' ' O ' ' A' ' 18' ' ' GLN . 5.5 ttt-85 51.47 47.66 24.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.47 147.81 44.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 110.035 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.579 ' CZ2' ' OH ' ' A' ' 78' ' ' TYR . 81.3 m95 -68.59 125.59 26.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 108.002 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.463 ' O ' HG23 ' A' ' 35' ' ' VAL . 37.7 mt-30 -146.26 131.36 18.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.54 1.15 . . . . 0.0 110.265 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -66.29 103.75 1.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.475 ' CG1' ' HB3' ' A' ' 46' ' ' PHE . 46.3 t -123.9 124.59 69.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.702 ' CE1' ' HB2' ' A' ' 50' ' ' ALA . 21.8 t80 -69.49 114.82 8.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.862 ' SG ' HD11 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -80.75 126.59 31.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 108.316 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.436 HG23 ' HD2' ' A' ' 36' ' ' TYR . 6.3 t -124.6 103.99 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.948 HD22 HG12 ' A' ' 111' ' ' VAL . 1.2 tt -98.41 144.93 27.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.171 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.47 ' O ' ' N ' ' A' ' 42' ' ' GLY . 3.1 tpt180 -141.35 -146.41 0.19 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.12 66.16 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.329 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.786 ' HA2' ' HB1' ' A' ' 115' ' ' ALA . . . 73.28 50.15 13.31 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.483 1.115 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.6 m -160.35 122.28 3.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 0.75 . . . . 0.0 110.03 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.862 HD11 ' SG ' ' A' ' 37' ' ' CYS . 27.0 tp -105.69 105.61 15.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -99.55 150.59 19.16 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.498 1.124 . . . . 0.0 111.033 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.518 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 60.1 m-85 -109.47 138.52 45.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 0.748 . . . . 0.0 110.983 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.518 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 15.5 m-85 -142.55 157.23 44.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.121 . . . . 0.0 110.996 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 10.3 tptt -48.65 -61.74 1.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.313 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.478 ' HA ' ' CE ' ' A' ' 13' ' ' MET . 0.6 OUTLIER -155.5 -173.06 4.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.702 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . . . -67.03 -10.54 50.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 36.4 mmtt -82.71 -23.29 34.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.504 ' HB1' ' O ' ' A' ' 57' ' ' VAL . . . -96.71 -31.02 12.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.34 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.6 -41.41 90.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.341 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.7 t -78.93 -25.08 43.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.944 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.848 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -91.29 11.86 22.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 45.42 27.8 2.03 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.466 1.104 . . . . 0.0 111.013 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.848 HG23 ' O ' ' A' ' 55' ' ' ALA . 45.9 t -99.92 121.6 53.58 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.521 0.777 . . . . 0.0 109.275 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 147.68 34.33 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.487 1.782 . . . . 0.0 110.992 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -56.03 -67.17 0.32 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 110.966 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.0 m170 -120.73 45.63 2.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.103 . . . . 0.0 109.629 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 55.84 17.11 14.14 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.458 1.098 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -73.59 155.82 38.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 0.739 . . . . 0.0 110.349 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -102.89 168.46 8.79 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 147.72 34.31 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.499 1.789 . . . . 0.0 111.009 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.551 HG22 ' O ' ' A' ' 44' ' ' LEU . 11.8 m -95.61 121.89 46.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 31.4 t -54.84 129.96 39.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.983 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.708 HD11 HD12 ' A' ' 39' ' ' LEU . 91.1 mt -99.94 50.22 0.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.663 ' O ' HG23 ' A' ' 116' ' ' ILE . . . -58.23 -116.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 70' ' ' ALA . 1.0 OUTLIER -83.0 14.82 3.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 110.28 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.486 ' O ' HG21 ' A' ' 116' ' ' ILE . . . -42.02 163.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.611 ' O ' HD12 ' A' ' 87' ' ' LEU . 14.0 pt20 -123.48 133.69 54.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -124.14 109.2 1.24 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.458 1.099 . . . . 0.0 111.024 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 70.5 m -137.11 155.78 49.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 0.767 . . . . 0.0 110.023 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.657 HG22 ' HE3' ' A' ' 105' ' ' MET . 55.9 t -64.84 155.98 6.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.523 ' O ' ' N ' ' A' ' 77' ' ' ASP . . . -77.36 -53.16 8.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.254 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.441 ' O ' ' N ' ' A' ' 78' ' ' TYR . 2.4 m-30 59.36 -76.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.418 1.074 . . . . 0.0 111.029 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.523 ' N ' ' O ' ' A' ' 75' ' ' ALA . 56.8 t0 -37.51 -33.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.579 ' OH ' ' CZ2' ' A' ' 32' ' ' TRP . 9.1 t80 -65.57 103.48 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 111.029 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 46.2 mtt180 -103.59 65.07 0.82 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -150.23 -65.55 0.2 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.538 1.148 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.507 ' HB2' HG21 ' A' ' 84' ' ' VAL . 38.3 mtt85 -99.09 135.88 39.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 110.33 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.421 ' C ' ' CG ' ' A' ' 83' ' ' HIS . 34.4 mttt -83.61 150.32 25.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.27 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.511 ' CD2' ' HA ' ' A' ' 101' ' ' ASP . 0.1 OUTLIER 59.08 68.41 0.82 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.144 . . . . 0.0 109.58 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.562 HG22 ' HG3' ' A' ' 98' ' ' GLN . 91.9 t -131.71 133.16 61.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.612 ' CZ ' ' HB2' ' A' ' 97' ' ' PHE . 6.0 p90 -129.65 142.64 50.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.977 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 17.7 ttmt -95.28 138.73 32.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.328 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.611 HD12 ' O ' ' A' ' 71' ' ' GLN . 38.6 tp -122.54 114.05 20.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -112.12 114.98 3.68 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.467 1.105 . . . . 0.0 110.959 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.404 ' N ' HD23 ' A' ' 89' ' ' LEU . 7.6 mt -73.71 -176.28 2.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -89.78 -8.61 51.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 110.275 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -97.09 15.87 21.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 72.34 30.84 64.2 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.514 1.134 . . . . 0.0 110.96 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.27 110.63 22.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 0.74 . . . . 0.0 109.363 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -106.16 130.48 54.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -126.78 149.25 49.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.993 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.455 HD23 ' HA ' ' A' ' 96' ' ' LEU . 15.7 mt -117.22 116.55 27.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.644 ' CE1' ' SG ' ' A' ' 37' ' ' CYS . 97.1 m-85 -118.13 140.7 49.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 111.048 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.562 ' HG3' HG22 ' A' ' 84' ' ' VAL . 25.2 tt0 -118.12 117.1 28.27 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.132 . . . . 0.0 110.331 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.504 ' HB1' ' HB3' ' A' ' 104' ' ' GLU . . . -82.43 170.14 15.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.271 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 10.7 pttt -68.45 -40.49 81.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.272 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.511 ' HA ' ' CD2' ' A' ' 83' ' ' HIS . 32.1 m-20 -148.44 -168.3 3.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.436 ' CG ' ' N ' ' A' ' 103' ' ' ALA . 2.7 pt-20 -67.58 -42.58 82.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.436 ' N ' ' CG ' ' A' ' 102' ' ' GLU . . . -56.32 -68.7 0.19 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.444 1.09 . . . . 0.0 109.279 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.504 ' HB3' ' HB1' ' A' ' 99' ' ' ALA . 3.6 tp10 -39.19 -43.36 1.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.657 ' HE3' HG22 ' A' ' 74' ' ' VAL . 20.8 ttp -66.26 -68.26 0.38 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -40.27 -40.68 1.19 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.97 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.902 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.3 OUTLIER -60.88 -56.44 21.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.973 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.547 ' CH2' ' HB3' ' A' ' 37' ' ' CYS . 37.9 m95 -42.3 -66.86 0.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 108.017 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.576 HD21 ' CG ' ' A' ' 85' ' ' PHE . 1.0 OUTLIER -41.12 -56.55 2.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 32.2 ttt-85 -50.88 -37.49 43.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.298 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.948 HG12 HD22 ' A' ' 39' ' ' LEU . 7.2 t -77.56 -60.3 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.487 HG11 HD13 ' A' ' 87' ' ' LEU . 85.6 t -45.19 -44.27 3.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.494 1.122 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -65.51 -39.03 91.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 111' ' ' VAL . . . -63.33 -19.97 65.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.786 ' HB1' ' HA2' ' A' ' 42' ' ' GLY . . . -89.71 -35.85 15.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.663 HG23 ' O ' ' A' ' 68' ' ' ALA . 22.0 mt -74.05 -41.54 52.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.51 -52.31 47.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -92.52 74.31 5.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 109.998 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -139.89 -143.96 4.45 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.519 1.137 . . . . 0.0 110.971 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 173.53 14.34 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.477 1.778 . . . . 0.0 111.027 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 8.5 t -148.88 -56.04 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 0.0 109.992 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 6.9 m -84.85 106.95 16.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 110.0 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.471 1.107 . . . . 0.0 110.974 179.959 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.6 p -179.32 89.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 0.743 . . . . 0.0 110.008 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.9 t -82.55 -57.97 3.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.017 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.57 -144.43 15.51 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.538 1.149 . . . . 0.0 110.97 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 p -170.72 -45.14 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.521 0.777 . . . . 0.0 109.963 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.2 p 176.73 162.88 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.999 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.24 -138.04 2.99 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.539 1.149 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -91.73 97.4 10.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 0.75 . . . . 0.0 110.3 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -97.62 150.71 20.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.282 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.655 ' CB ' HG11 ' A' ' 111' ' ' VAL . 3.1 ttt -156.64 135.34 11.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 111.037 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.435 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 6.5 pt-20 -150.13 131.93 15.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.244 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -172.25 166.35 39.13 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.56 1.163 . . . . 0.0 110.99 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.535 ' O ' HD12 ' A' ' 14' ' ' LEU . 1.7 tpt -70.8 114.0 8.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 0.753 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.785 HD23 ' HB3' ' A' ' 97' ' ' PHE . 1.9 mp -130.81 155.41 46.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.434 ' O ' ' O ' ' A' ' 96' ' ' LEU . 0.1 OUTLIER -95.38 96.28 9.02 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.501 1.125 . . . . 0.0 108.279 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.582 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 7.8 ttp180 -89.15 119.15 29.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.123 . . . . 0.0 110.303 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.417 ' HD2' ' NE1' ' A' ' 32' ' ' TRP . 5.8 tttt -124.15 101.81 7.4 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.472 1.107 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.487 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 28.9 tt0 -63.29 109.8 1.69 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 110.331 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -85.0 -58.05 2.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.504 ' CE ' ' O ' ' A' ' 25' ' ' LYS . 88.0 mmm -120.54 153.28 36.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 111.032 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.52 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 6.1 tt0 -106.34 -11.72 15.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.52 ' HB2' ' O ' ' A' ' 21' ' ' GLU . . . 174.18 173.64 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -48.28 116.25 1.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 111.006 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 62.42 11.93 36.8 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.486 1.116 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.504 ' O ' ' CE ' ' A' ' 20' ' ' MET . 0.1 OUTLIER -99.58 131.94 45.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.483 0.754 . . . . 0.0 109.301 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.04 139.99 33.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.487 ' HB2' ' HG2' ' A' ' 18' ' ' GLN . . . -68.26 148.27 51.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.84 -76.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.89 -73.82 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.439 ' HG3' ' HB3' ' A' ' 27' ' ' ALA . 2.2 ttm105 76.43 44.34 0.13 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.585 1.178 . . . . 0.0 110.329 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.73 159.33 25.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.994 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.499 ' CZ2' ' CE2' ' A' ' 78' ' ' TYR . 77.5 m95 -74.66 131.32 40.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 107.982 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.498 ' O ' HG23 ' A' ' 35' ' ' VAL . 56.8 mt-30 -147.64 119.55 8.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.329 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -60.62 103.57 0.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.582 HG11 ' HB3' ' A' ' 46' ' ' PHE . 95.9 t -120.97 126.91 75.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.5 ' CE1' ' HB2' ' A' ' 50' ' ' ALA . 7.3 t80 -69.06 115.29 8.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.579 ' HB3' ' CH2' ' A' ' 108' ' ' TRP . 0.8 OUTLIER -81.89 130.22 35.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 108.279 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 60.9 t -133.12 105.55 8.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 1.024 HD22 HG12 ' A' ' 111' ' ' VAL . 0.8 OUTLIER -98.76 139.19 34.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -167.74 142.67 3.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.294 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 49.58 25.72 1.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.099 . . . . 0.0 110.301 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.552 ' HA2' ' HB1' ' A' ' 115' ' ' ALA . . . 73.41 48.21 19.38 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.536 1.148 . . . . 0.0 111.04 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 89.9 p -152.69 126.45 8.92 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.557 0.798 . . . . 0.0 109.994 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.439 HD11 ' SG ' ' A' ' 37' ' ' CYS . 30.7 tp -89.53 124.13 34.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -118.63 128.58 7.76 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.582 ' HB3' HG11 ' A' ' 35' ' ' VAL . 34.3 m-85 -92.08 134.76 34.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 0.75 . . . . 0.0 110.98 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.408 ' O ' ' C ' ' A' ' 48' ' ' LYS . 47.6 m-85 -137.69 145.38 42.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.529 ' HA ' ' CD2' ' A' ' 59' ' ' TYR . 23.9 ttpt -39.66 -57.44 1.51 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.55 ' H ' ' HB3' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -160.08 -178.59 7.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.5 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . . . -60.18 -22.44 62.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.108 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.2 mmtm -80.02 -17.11 53.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.55 ' HB3' ' H ' ' A' ' 49' ' ' ASP . . . -96.41 -26.44 15.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.92 -42.1 58.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 109.272 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.2 t -69.25 -26.59 64.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.956 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -91.9 -1.34 57.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 60.59 38.24 94.67 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.6 t -106.6 113.96 62.45 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.516 0.774 . . . . 0.0 109.28 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 133.2 16.22 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.5 1.79 . . . . 0.0 110.963 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.529 ' CD2' ' HA ' ' A' ' 48' ' ' LYS . 0.3 OUTLIER -58.74 116.34 3.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 111.01 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.4 m170 53.41 20.57 2.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.559 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 64.61 41.02 97.98 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.481 1.113 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.423 ' O ' ' O ' ' A' ' 63' ' ' VAL . 52.8 mt-10 -91.58 92.96 8.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 0.733 . . . . 0.0 110.278 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.423 ' O ' ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -43.13 166.66 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 163.09 36.07 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.473 1.775 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.7 m -107.11 122.94 61.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.264 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.1 m -67.27 131.06 44.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.992 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.48 ' CD1' HD11 ' A' ' 39' ' ' LEU . 13.7 mt -95.59 29.44 2.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -79.0 107.39 11.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.9 mtm180 75.31 22.92 1.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 110.259 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.615 ' O ' HD13 ' A' ' 116' ' ' ILE . . . -92.26 152.47 19.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.275 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.498 ' O ' HD12 ' A' ' 87' ' ' LEU . 3.1 mm-40 -114.29 137.84 51.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -124.53 117.5 3.08 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.455 1.097 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 70.9 m -137.74 161.45 36.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 0.789 . . . . 0.0 109.98 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.574 HG21 ' CE2' ' A' ' 76' ' ' PHE . 0.9 OUTLIER -82.3 163.8 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.405 ' N ' ' HA ' ' A' ' 85' ' ' PHE . . . -131.09 60.23 1.66 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 109.251 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.574 ' CE2' HG21 ' A' ' 74' ' ' VAL . 8.9 m-85 -55.33 -42.68 74.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.952 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -40.66 -49.32 3.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.53 ' CE1' ' HB2' ' A' ' 80' ' ' LYS . 1.1 t80 -41.62 102.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.999 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.459 ' O ' ' CG ' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -95.83 80.14 3.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.317 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.53 ' HB2' ' CE1' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -172.02 -62.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.27 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.565 ' CB ' HG21 ' A' ' 84' ' ' VAL . 39.0 mtt85 -98.94 132.79 44.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.278 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.418 ' C ' ' CG ' ' A' ' 83' ' ' HIS . 81.4 mttt -81.73 152.16 27.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 109.339 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.561 ' CE1' ' HA ' ' A' ' 101' ' ' ASP . 0.0 OUTLIER 48.43 73.14 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.632 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.565 HG21 ' CB ' ' A' ' 81' ' ' ARG . 44.3 t -131.01 143.09 41.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.736 ' CG ' HD21 ' A' ' 109' ' ' LEU . 15.2 p90 -139.49 148.08 42.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 111.026 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 28.1 ttmt -95.59 145.59 25.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.498 HD12 ' O ' ' A' ' 71' ' ' GLN . 35.3 tp -130.9 104.75 7.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -99.37 114.71 5.1 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.525 1.141 . . . . 0.0 110.965 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.402 ' N ' HD23 ' A' ' 89' ' ' LEU . 5.3 mt -72.11 -179.32 2.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 0.75 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -88.82 0.23 56.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.266 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -109.38 19.81 18.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 69.52 28.07 72.76 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.515 1.134 . . . . 0.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.28 103.26 14.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 0.771 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -98.46 128.13 44.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.349 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -120.4 163.0 18.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 110.985 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.434 ' O ' ' O ' ' A' ' 15' ' ' CYS . 16.1 mt -130.64 119.1 21.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.785 ' HB3' HD23 ' A' ' 14' ' ' LEU . 98.3 m-85 -121.19 132.5 54.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.535 ' HG3' HG22 ' A' ' 84' ' ' VAL . 43.7 tt0 -109.13 108.44 19.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.289 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.542 ' HA ' HD11 ' A' ' 14' ' ' LEU . . . -71.16 174.58 6.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.087 . . . . 0.0 109.259 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 24.1 pttt -76.37 -36.34 58.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.354 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.561 ' HA ' ' CE1' ' A' ' 83' ' ' HIS . 62.9 m-20 -154.37 -178.5 7.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.364 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -57.5 -44.55 85.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 110.318 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.17 -67.93 0.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -38.4 -46.48 1.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.292 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.538 ' SD ' ' N ' ' A' ' 106' ' ' SER . 3.6 tmm? -60.21 -71.59 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.538 ' N ' ' SD ' ' A' ' 105' ' ' MET . 0.5 OUTLIER -35.04 -50.32 0.49 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.069 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.927 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.3 OUTLIER -54.32 -51.76 63.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.974 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.581 ' CD1' ' HE1' ' A' ' 10' ' ' MET . 19.1 m95 -51.3 -51.83 50.66 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.736 HD21 ' CG ' ' A' ' 85' ' ' PHE . 2.7 mm? -56.36 -48.75 76.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -59.69 -42.14 92.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.302 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 1.024 HG12 HD22 ' A' ' 39' ' ' LEU . 21.6 t -69.84 -59.5 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 108' ' ' TRP . 76.9 t -47.56 -41.01 7.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -70.13 -38.57 75.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.35 -17.9 64.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.552 ' HB1' ' HA2' ' A' ' 42' ' ' GLY . . . -90.67 -41.93 11.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.615 HD13 ' O ' ' A' ' 70' ' ' ALA . 51.4 mt -59.08 -53.13 52.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -53.72 -43.65 69.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.3 m -79.98 61.34 3.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.017 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -97.18 -164.01 32.18 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.55 1.156 . . . . 0.0 111.008 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 70.11 5.35 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.51 1.795 . . . . 0.0 110.953 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 79.2 p -120.21 167.87 11.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.927 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -118.74 165.11 14.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 109.998 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 O-C-N 124.493 1.121 . . . . 0.0 110.994 -179.968 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -152.21 168.44 25.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 0.774 . . . . 0.0 109.972 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.1 t -73.08 139.77 46.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.074 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.3 175.09 22.53 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.501 1.125 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.6 m -104.42 94.79 5.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 0.751 . . . . 0.0 109.997 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.3 p -155.18 159.2 39.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 110.039 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.14 155.56 8.22 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.453 1.096 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -89.94 115.87 27.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 0.786 . . . . 0.0 110.286 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -96.28 145.66 25.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.328 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.631 ' HE1' ' CD1' ' A' ' 108' ' ' TRP . 4.9 ttt -151.87 137.05 17.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 111.039 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.436 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 6.6 pt-20 -154.7 131.72 10.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.322 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -172.44 167.13 40.0 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.53 1.144 . . . . 0.0 110.992 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.687 ' HE3' ' HA ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -71.55 115.17 10.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 0.775 . . . . 0.0 111.031 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.62 HD12 ' O ' ' A' ' 13' ' ' MET . 2.2 mp -131.65 150.17 52.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 97' ' ' PHE . 0.1 OUTLIER -87.79 95.68 10.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 108.325 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.574 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 18.2 ttp180 -87.99 118.4 27.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.269 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.516 ' HD3' ' CE2' ' A' ' 32' ' ' TRP . 0.4 OUTLIER -123.79 95.54 4.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.466 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 13.1 tt0 -60.06 112.49 1.91 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.283 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -92.59 -56.67 2.93 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.115 . . . . 0.0 110.317 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 88.4 mmm -117.63 155.79 29.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 110.993 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.514 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 9.3 tt0 -111.33 -12.19 14.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.296 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.514 ' HB2' ' O ' ' A' ' 21' ' ' GLU . . . 174.56 173.74 0.2 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -47.26 117.5 1.77 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 59.46 14.27 26.79 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.518 1.136 . . . . 0.0 110.966 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.29 127.23 46.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 0.772 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.74 139.18 32.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.431 1.082 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.466 ' CB ' ' HG2' ' A' ' 18' ' ' GLN . . . -78.16 131.57 37.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.102 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.66 -62.95 0.79 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -110.37 134.28 52.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.448 ' NH1' ' HB2' ' A' ' 30' ' ' ARG . 13.3 mtm105 -127.84 50.5 2.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 110.281 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.9 m -96.09 159.75 14.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.039 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.516 ' CE2' ' HD3' ' A' ' 17' ' ' LYS . 81.5 m95 -86.29 128.02 34.86 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.568 ' O ' HG23 ' A' ' 35' ' ' VAL . 3.7 mp0 -145.29 123.84 12.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 110.32 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -63.18 104.19 0.56 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 109.319 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 33' ' ' GLN . 58.3 t -117.81 127.0 75.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.683 ' CZ ' ' HB2' ' A' ' 50' ' ' ALA . 6.8 t80 -71.4 108.28 4.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.523 ' SG ' ' CE1' ' A' ' 97' ' ' PHE . 0.6 OUTLIER -76.66 128.13 34.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 108.3 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 74.9 t -127.52 105.52 13.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.33 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.864 HD22 HG12 ' A' ' 111' ' ' VAL . 0.7 OUTLIER -97.26 138.41 34.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 109.287 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -176.87 136.44 0.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 110.287 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.6 mtm180 64.12 33.46 11.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.312 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.73 ' HA2' ' HB1' ' A' ' 115' ' ' ALA . . . 67.75 20.79 72.57 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.442 ' O ' ' HA ' ' A' ' 39' ' ' LEU . 3.1 m -118.8 166.85 12.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 0.752 . . . . 0.0 109.998 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.433 HD11 ' SG ' ' A' ' 37' ' ' CYS . 50.0 tp -133.76 103.04 5.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -98.53 158.13 20.37 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.582 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 67.4 m-85 -119.05 144.91 46.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 0.783 . . . . 0.0 110.955 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.582 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 34.5 m-85 -150.35 156.66 41.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -48.37 -65.46 0.56 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.308 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.687 ' HA ' ' HE3' ' A' ' 13' ' ' MET . 0.9 OUTLIER -150.61 -175.55 5.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.683 ' HB2' ' CZ ' ' A' ' 36' ' ' TYR . . . -62.54 -14.19 39.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.343 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -77.56 -43.43 31.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 109.283 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.8 -37.07 70.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.249 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.23 -51.54 64.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.77 -28.17 68.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.004 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.809 ' O ' HG23 ' A' ' 57' ' ' VAL . . . -90.67 12.09 20.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.44 1.087 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 42.31 33.89 1.47 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.809 HG23 ' O ' ' A' ' 55' ' ' ALA . 96.8 t -101.52 121.01 52.94 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.495 0.762 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 136.07 19.93 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.495 1.787 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -50.14 -67.3 0.27 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 17.2 m170 -117.11 43.74 2.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.08 . . . . 0.0 109.59 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 51.28 20.4 4.96 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.498 1.124 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -77.28 160.56 28.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 0.776 . . . . 0.0 110.339 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -105.76 168.34 8.41 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.361 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 136.37 20.37 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.464 1.771 . . . . 0.0 111.019 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 17.2 m -85.23 124.5 40.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.51 127.82 34.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.032 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.478 HD11 HD12 ' A' ' 39' ' ' LEU . 8.3 mt -90.6 40.65 1.02 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.553 1.158 . . . . 0.0 109.319 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.445 ' O ' ' NE2' ' A' ' 90' ' ' GLN . . . -83.26 110.99 18.55 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.467 1.104 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 14.7 mtm180 69.24 17.88 8.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.252 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -77.43 176.16 9.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -146.87 134.63 21.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -122.2 124.67 5.81 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.493 1.12 . . . . 0.0 110.992 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.1 t -136.54 161.26 36.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 0.775 . . . . 0.0 110.037 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.649 HG22 ' CE ' ' A' ' 105' ' ' MET . 38.8 t -83.14 150.4 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -97.02 73.33 2.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.241 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -60.56 -41.35 94.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 1.171 . . . . 0.0 110.998 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.68 -40.29 12.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.259 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.559 ' CD2' HG11 ' A' ' 84' ' ' VAL . 0.2 OUTLIER -72.95 114.91 11.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.982 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -105.99 -47.26 3.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.102 . . . . 0.0 110.246 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.53 -52.3 10.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.08 125.53 48.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.538 ' O ' ' CG ' ' A' ' 83' ' ' HIS . 7.4 mtpt -91.38 170.55 9.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.64 ' CE1' ' O ' ' A' ' 99' ' ' ALA . 19.2 p80 49.62 60.86 3.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.553 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.768 HG22 ' HG3' ' A' ' 98' ' ' GLN . 65.8 t -131.56 122.44 50.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.588 ' CZ ' ' HB2' ' A' ' 97' ' ' PHE . 8.5 p90 -129.45 136.8 50.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 111.027 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 15.0 ttmt -92.84 128.62 38.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.769 HD13 HG11 ' A' ' 112' ' ' VAL . 37.2 tp -109.73 100.54 9.53 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -92.86 115.24 4.83 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.544 1.152 . . . . 0.0 111.057 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.0 mt -73.38 -177.01 2.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 0.773 . . . . 0.0 109.317 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.445 ' NE2' ' O ' ' A' ' 68' ' ' ALA . 10.6 pt20 -89.54 -5.88 56.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -106.14 27.98 8.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 109.276 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 62.51 36.33 93.03 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.479 1.112 . . . . 0.0 111.028 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.88 108.7 20.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 0.775 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -106.87 125.67 51.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.308 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -122.22 143.81 49.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.974 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.487 HD23 ' HA ' ' A' ' 96' ' ' LEU . 9.8 mt -108.35 121.55 45.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.588 ' HB2' ' CZ ' ' A' ' 85' ' ' PHE . 72.0 m-85 -120.13 146.69 45.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.097 . . . . 0.0 111.034 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.768 ' HG3' HG22 ' A' ' 84' ' ' VAL . 2.8 tt0 -125.26 111.99 15.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.657 ' HB1' ' HB3' ' A' ' 104' ' ' GLU . . . -77.35 -140.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.439 ' HG3' ' N ' ' A' ' 101' ' ' ASP . 0.0 OUTLIER -119.59 -27.2 5.56 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.439 ' N ' ' HG3' ' A' ' 100' ' ' LYS . 64.7 m-20 -161.75 -174.77 4.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 109.339 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -69.45 -8.36 46.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 110.277 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.412 ' O ' ' C ' ' A' ' 104' ' ' GLU . . . -89.23 -71.0 0.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.657 ' HB3' ' HB1' ' A' ' 99' ' ' ALA . 0.9 OUTLIER -37.9 -43.05 0.66 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.133 . . . . 0.0 110.3 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.649 ' CE ' HG22 ' A' ' 74' ' ' VAL . 4.8 ttp -69.59 -61.87 1.61 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 110.997 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -39.62 -40.23 0.86 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.994 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.844 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.3 OUTLIER -65.16 -51.14 62.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.97 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.631 ' CD1' ' HE1' ' A' ' 10' ' ' MET . 30.1 m95 -45.44 -63.43 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 107.993 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.562 HD21 ' CG ' ' A' ' 85' ' ' PHE . 0.9 OUTLIER -44.36 -50.93 8.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.31 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 45.6 ttt180 -56.51 -36.84 69.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.304 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.864 HG12 HD22 ' A' ' 39' ' ' LEU . 17.2 t -77.33 -59.44 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 109.319 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.769 HG11 HD13 ' A' ' 87' ' ' LEU . 87.8 t -46.04 -38.49 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.231 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -71.45 -37.52 71.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 111' ' ' VAL . . . -67.71 -17.64 64.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.73 ' HB1' ' HA2' ' A' ' 42' ' ' GLY . . . -91.19 -41.72 10.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.427 1.08 . . . . 0.0 109.329 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 52.2 mt -58.2 -58.98 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.66 -62.92 1.32 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 119' ' ' GLY . 0.2 OUTLIER -54.43 97.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.038 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 118' ' ' SER . . . -36.27 131.55 0.86 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.532 1.145 . . . . 0.0 110.971 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 85.99 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.522 1.801 . . . . 0.0 111.02 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 26.3 m 52.65 78.54 0.13 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 110.024 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 15.2 p -86.38 -57.23 3.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.051 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.464 1.102 . . . . 0.0 111.025 179.999 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.8 t -99.29 135.28 40.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 0.774 . . . . 0.0 109.979 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.6 p -164.1 166.4 21.34 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.559 1.162 . . . . 0.0 110.04 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.415 ' HA3' ' NH2' ' A' ' 40' ' ' ARG . . . -157.0 81.78 0.16 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.467 1.104 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.0 m -127.74 128.71 45.85 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 0.769 . . . . 0.0 110.005 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 168.25 -55.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.041 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.87 -160.95 11.56 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.531 ' CD ' ' HB1' ' A' ' 114' ' ' ALA . 1.7 mp0 -103.67 87.4 2.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 0.742 . . . . 0.0 110.302 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -100.19 142.07 32.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.306 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' MET . . . . . 0.87 ' HB2' HG11 ' A' ' 111' ' ' VAL . 5.0 ttt -140.58 131.15 25.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 110.993 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.481 ' HA ' ' O ' ' A' ' 37' ' ' CYS . 7.8 pt-20 -146.64 125.57 12.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.304 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -169.14 158.68 31.35 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.476 1.11 . . . . 0.0 110.986 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.73 ' O ' HD12 ' A' ' 14' ' ' LEU . 2.0 mmt -59.35 120.28 9.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 0.797 . . . . 0.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.73 HD12 ' O ' ' A' ' 13' ' ' MET . 1.7 mp -140.93 154.68 46.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.455 ' O ' ' O ' ' A' ' 96' ' ' LEU . 0.1 OUTLIER -97.03 96.76 8.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.152 . . . . 0.0 108.296 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.527 ' HG3' ' CE1' ' A' ' 97' ' ' PHE . 10.4 ttp180 -88.51 119.66 29.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.274 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.465 ' HD2' ' CE2' ' A' ' 32' ' ' TRP . 4.1 tttp -124.98 94.7 4.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.491 ' HG2' ' CB ' ' A' ' 27' ' ' ALA . 44.1 tt0 -66.73 111.47 3.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.267 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.479 ' OE2' ' N ' ' A' ' 96' ' ' LEU . 0.6 OUTLIER -95.1 -50.22 5.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.303 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.513 ' CE ' ' O ' ' A' ' 25' ' ' LYS . 69.8 mmm -114.98 142.68 46.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 111.002 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.401 ' O ' ' O ' ' A' ' 92' ' ' GLY . 3.1 tt0 -112.93 -11.6 13.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 110.273 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.466 ' HA ' ' O ' ' A' ' 92' ' ' GLY . . . -166.02 176.53 7.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.329 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -60.13 128.83 38.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 111.019 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 43.37 32.08 1.7 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.489 1.118 . . . . 0.0 110.993 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.513 ' O ' ' CE ' ' A' ' 20' ' ' MET . 0.0 OUTLIER -107.31 -158.19 0.64 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.765 . . . . 0.0 109.262 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.0 pttt -153.07 140.7 19.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.491 ' CB ' ' HG2' ' A' ' 18' ' ' GLN . . . -83.3 142.32 31.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 27' ' ' ALA . . . -40.37 -71.16 0.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.25 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -104.4 138.97 40.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 40.3 mtm180 -124.97 56.5 1.32 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.95 158.0 27.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.016 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.465 ' CE2' ' HD2' ' A' ' 17' ' ' LYS . 86.6 m95 -79.58 132.41 36.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 108.011 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.438 ' O ' HG23 ' A' ' 35' ' ' VAL . 55.3 mt-30 -144.41 129.59 18.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 110.288 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -66.02 103.86 1.03 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.471 ' CG1' ' HB3' ' A' ' 46' ' ' PHE . 47.8 t -125.36 125.59 69.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.753 ' CE1' ' HB2' ' A' ' 50' ' ' ALA . 57.0 t80 -73.07 110.36 7.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 110.988 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.638 ' SG ' HD11 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -74.16 132.14 41.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 108.313 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 56.4 t -128.95 105.33 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.332 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.994 HD22 HG12 ' A' ' 111' ' ' VAL . 0.6 OUTLIER -102.5 141.84 34.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.282 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 42' ' ' GLY . 1.1 tpt180 -134.17 -149.68 0.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.32 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.6 mmt85 -66.62 68.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.297 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 40' ' ' ARG . . . 79.03 55.16 3.86 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.469 1.106 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.45 ' O ' ' HA ' ' A' ' 39' ' ' LEU . 33.2 p -159.82 166.69 29.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 0.77 . . . . 0.0 110.002 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.638 HD11 ' SG ' ' A' ' 37' ' ' CYS . 28.5 tp -150.62 102.9 3.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.22 155.27 19.52 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.503 1.127 . . . . 0.0 110.986 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.588 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 66.0 m-85 -115.2 137.22 52.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 0.776 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.588 ' CD1' ' C ' ' A' ' 46' ' ' PHE . 5.4 m-85 -143.68 163.13 34.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -53.02 -67.05 0.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.599 ' H ' ' HB3' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -146.73 179.02 7.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.753 ' HB2' ' CE1' ' A' ' 36' ' ' TYR . . . -60.52 -18.69 53.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.3 mmtm -85.74 -17.72 35.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.599 ' HB3' ' H ' ' A' ' 49' ' ' ASP . . . -95.64 -13.35 24.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.09 -41.87 24.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.06 -40.72 96.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.986 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.03 -21.61 62.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.87 43.48 11.24 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.515 1.134 . . . . 0.0 110.982 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 84.0 t -105.08 105.08 50.26 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.515 0.773 . . . . 0.0 109.304 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 128.41 11.47 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.52 1.8 . . . . 0.0 110.968 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.402 ' C ' ' N ' ' A' ' 61' ' ' GLY . 4.6 t80 -49.97 118.84 3.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 110.988 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 11.4 m170 48.83 23.44 0.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 0.0 109.571 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.402 ' N ' ' C ' ' A' ' 59' ' ' TYR . . . 63.74 23.42 67.21 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.487 1.117 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.433 ' O ' ' O ' ' A' ' 63' ' ' VAL . 38.5 mt-10 -75.41 97.61 3.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 0.778 . . . . 0.0 110.307 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.433 ' O ' ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -43.2 166.97 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 170.77 19.68 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.474 1.776 . . . . 0.0 110.991 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.467 ' CG2' ' HB3' ' A' ' 44' ' ' LEU . 35.3 m -110.37 133.46 55.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.438 1.086 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.3 128.66 34.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.975 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.648 HD11 HD12 ' A' ' 39' ' ' LEU . 37.1 mt -89.24 41.87 1.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -86.69 106.77 17.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.56 15.17 3.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -79.23 172.51 13.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -148.96 147.63 28.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 110.29 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.422 ' C ' ' CD1' ' A' ' 109' ' ' LEU . . . -121.28 116.18 3.07 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.483 1.114 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.32 160.33 21.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 0.728 . . . . 0.0 110.053 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.59 HG22 ' HE3' ' A' ' 105' ' ' MET . 3.5 t -100.31 140.03 20.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.538 ' HB3' ' O ' ' A' ' 84' ' ' VAL . . . -97.95 74.6 2.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.445 ' C ' ' O ' ' A' ' 75' ' ' ALA . 88.2 m-85 -33.95 101.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 0.0 111.011 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 44.14 86.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.608 ' CE1' ' O ' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -85.38 134.62 34.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.608 ' O ' ' CE1' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -37.5 125.17 1.06 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.142 . . . . 0.0 110.274 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 79' ' ' ARG . 13.4 mttp 87.39 -128.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.152 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.416 ' O ' ' O ' ' A' ' 80' ' ' LYS . 8.8 mmt180 -38.82 158.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.571 1.169 . . . . 0.0 110.282 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.546 ' O ' HG23 ' A' ' 84' ' ' VAL . 70.7 mttt -111.44 175.33 5.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.444 1.09 . . . . 0.0 109.34 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 40.74 80.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.568 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.668 HG13 ' O ' ' A' ' 97' ' ' PHE . 85.0 t -140.7 137.68 35.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.11 . . . . 0.0 109.329 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.603 ' CZ ' ' HB2' ' A' ' 97' ' ' PHE . 11.4 p90 -123.6 135.34 53.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.433 ' HE3' HD21 ' A' ' 96' ' ' LEU . 26.7 ttmt -86.41 116.0 24.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.659 HD13 HG11 ' A' ' 112' ' ' VAL . 26.1 tp -95.4 97.95 10.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -95.5 112.97 4.51 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.531 1.144 . . . . 0.0 111.029 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.43 HD12 ' HB3' ' A' ' 93' ' ' LYS . 14.7 mt -66.25 -126.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 0.742 . . . . 0.0 109.277 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.571 ' O ' ' CB ' ' A' ' 91' ' ' ASP . 1.5 pt20 -85.84 22.34 1.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 110.257 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.571 ' CB ' ' O ' ' A' ' 90' ' ' GLN . 6.0 t0 88.39 -18.67 0.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.466 ' O ' ' HA ' ' A' ' 22' ' ' ALA . . . -93.19 10.05 74.0 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.5 1.125 . . . . 0.0 110.986 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.43 ' HB3' HD12 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -163.15 124.29 2.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 0.779 . . . . 0.0 109.284 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -137.22 125.43 23.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 110.33 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.458 ' C ' ' OE2' ' A' ' 19' ' ' GLU . 93.1 m-85 -122.13 154.67 37.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.479 ' N ' ' OE2' ' A' ' 19' ' ' GLU . 19.8 mt -115.04 107.77 15.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.668 ' O ' HG13 ' A' ' 84' ' ' VAL . 97.0 m-85 -106.99 140.24 40.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 111.008 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.611 ' CB ' HG22 ' A' ' 84' ' ' VAL . 2.3 tt0 -116.67 121.52 41.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 110.358 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.573 ' HB1' ' HB3' ' A' ' 104' ' ' GLU . . . -86.42 173.63 9.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.3 pttp -75.75 -31.27 59.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -159.38 -175.81 5.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -62.96 -25.57 68.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -70.71 -71.79 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.283 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.573 ' HB3' ' HB1' ' A' ' 99' ' ' ALA . 0.6 OUTLIER -40.16 -38.24 0.73 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.315 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.59 ' HE3' HG22 ' A' ' 74' ' ' VAL . 5.4 ttp -69.93 -69.14 0.37 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 111.029 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.1 t -39.48 -45.93 1.62 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 110.034 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.739 ' O ' HG23 ' A' ' 111' ' ' VAL . 0.3 OUTLIER -58.36 -54.91 41.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.976 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.55 ' CH2' ' HB3' ' A' ' 37' ' ' CYS . 17.4 m95 -42.63 -62.69 0.92 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 107.998 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.582 HD21 ' CG ' ' A' ' 85' ' ' PHE . 0.4 OUTLIER -46.71 -50.03 18.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.4 ' HB3' ' O ' ' A' ' 107' ' ' SER . 51.5 ttt180 -56.93 -33.77 67.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.277 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.994 HG12 HD22 ' A' ' 39' ' ' LEU . 21.9 t -80.09 -57.91 4.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.659 HG11 HD13 ' A' ' 87' ' ' LEU . 86.7 t -47.22 -38.72 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.256 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -72.02 -37.02 69.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.531 ' HB1' ' CD ' ' A' ' 8' ' ' GLU . . . -71.32 -20.06 62.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.67 ' HB2' HD21 ' A' ' 39' ' ' LEU . . . -87.61 -45.51 10.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 34.9 mt -53.55 -53.02 27.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -54.77 -40.68 69.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.05 50.25 1.94 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.973 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -98.29 -165.16 31.0 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.486 1.116 . . . . 0.0 111.015 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 84.71 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.527 1.804 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 29.9 t -40.78 150.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.14 . . . . 0.0 110.029 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.9 m -95.24 -41.45 9.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 109.993 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.521 1.138 . . . . 0.0 110.966 179.95 . . . . . . . . 0 0 . 1 stop_ save_